From 91be4457e248bb3f8547861356bcaac2f137b773 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= Date: Wed, 13 May 2020 16:25:11 +0200 Subject: [PATCH] Replace by the correct DOI for QUEST#4 --- static/data/abs/allyl_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/allyl_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/allyl_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/allyl_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/allyl_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/bef_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/bef_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/bef_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/bef_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/bef_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/beh_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/beh_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/beh_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/beh_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/beh_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/bh2_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/bh2_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/bh2_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/bh2_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/bh2_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/carbonylfluoride_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/carbonylfluoride_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- static/data/abs/carbonylfluoride_ADC(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/carbonylfluoride_CC2_aug-cc-pVTZ.dat | 2 +- static/data/abs/carbonylfluoride_CC3(FC)_6-31+G(d).dat | 2 +- static/data/abs/carbonylfluoride_CC3(FC)_aug-cc-pV5Z.dat | 2 +- static/data/abs/carbonylfluoride_CC3(FC)_aug-cc-pVDZ.dat | 2 +- static/data/abs/carbonylfluoride_CC3(FC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/carbonylfluoride_CC3(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/carbonylfluoride_CC3(Full)_aug-cc-pCVQZ.dat | 2 +- static/data/abs/carbonylfluoride_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/carbonylfluoride_CC3_6-31+G(d).dat | 2 +- static/data/abs/carbonylfluoride_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/carbonylfluoride_CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/carbonylfluoride_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/carbonylfluoride_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/carbonylfluoride_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/carbonylfluoride_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/carbonylfluoride_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/carbonylfluoride_CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/carbonylfluoride_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/carbonylfluoride_EOM-MP2_aug-cc-pVTZ.dat | 2 +- static/data/abs/carbonylfluoride_FCI_aug-cc-pVDZ.dat | 2 +- static/data/abs/carbonylfluoride_FCI_aug-cc-pVTZ.dat | 2 +- static/data/abs/carbonylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- .../data/abs/carbonylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- .../data/abs/carbonylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/carbonylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/carbonylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/carbonylfluoride_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/carbonylfluoride_TBE_CBS.dat | 2 +- static/data/abs/ccl2_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_ADC(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_CC2_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_CC3(FC)_6-31+G(d).dat | 2 +- static/data/abs/ccl2_CC3(FC)_aug-cc-pV5Z.dat | 2 +- static/data/abs/ccl2_CC3(FC)_aug-cc-pVDZ.dat | 2 +- static/data/abs/ccl2_CC3(FC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/ccl2_CC3(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_CC3(Full)_aug-cc-pCVQZ.dat | 2 +- static/data/abs/ccl2_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/ccl2_CC3(SC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/ccl2_CC3_6-31+G(d).dat | 2 +- static/data/abs/ccl2_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/ccl2_CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_CCSDTQ_6-31+G(d).dat | 2 +- static/data/abs/ccl2_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/ccl2_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/ccl2_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_EOM-MP2_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_FCI_aug-cc-pVDZ.dat | 2 +- static/data/abs/ccl2_FCI_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/ccl2_TBE_CBS.dat | 2 +- static/data/abs/cclf_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_ADC(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_CC2_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_CC3(FC)_6-31+G(d).dat | 2 +- static/data/abs/cclf_CC3(FC)_aug-cc-pV5Z.dat | 2 +- static/data/abs/cclf_CC3(FC)_aug-cc-pVDZ.dat | 2 +- static/data/abs/cclf_CC3(FC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/cclf_CC3(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_CC3(Full)_aug-cc-pCVQZ.dat | 2 +- static/data/abs/cclf_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/cclf_CC3(SC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/cclf_CC3_6-31+G(d).dat | 2 +- static/data/abs/cclf_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/cclf_CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_CCSDTQ_6-31+G(d).dat | 2 +- static/data/abs/cclf_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/cclf_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/cclf_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_EOM-MP2_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_FCI_aug-cc-pVDZ.dat | 2 +- static/data/abs/cclf_FCI_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cclf_TBE_CBS.dat | 2 +- static/data/abs/cf2_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_ADC(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_CC2_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_CC3(FC)_6-31+G(d).dat | 2 +- static/data/abs/cf2_CC3(FC)_aug-cc-pV5Z.dat | 2 +- static/data/abs/cf2_CC3(FC)_aug-cc-pVDZ.dat | 2 +- static/data/abs/cf2_CC3(FC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/cf2_CC3(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_CC3(Full)_aug-cc-pCVQZ.dat | 2 +- static/data/abs/cf2_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/cf2_CC3_6-31+G(d).dat | 2 +- static/data/abs/cf2_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/cf2_CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_CCSDTQ_6-31+G(d).dat | 2 +- static/data/abs/cf2_CCSDTQ_aug-cc-pVDZ.dat | 2 +- static/data/abs/cf2_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/cf2_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/cf2_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_EOM-MP2_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_FCI_aug-cc-pVDZ.dat | 2 +- static/data/abs/cf2_FCI_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cf2_TBE_CBS.dat | 2 +- static/data/abs/ch3_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/ch3_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/ch3_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/ch3_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/ch3_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/ch_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/ch_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/ch_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/ch_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/ch_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/cn_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/cn_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/cn_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cn_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/cn_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/cno_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/cno_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/cno_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/cno_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/cno_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/co+_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/co+_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/co+_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/co+_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/co+_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/difluorodiazirine_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/difluorodiazirine_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- static/data/abs/difluorodiazirine_ADC(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/difluorodiazirine_CC2_aug-cc-pVTZ.dat | 2 +- static/data/abs/difluorodiazirine_CC3(FC)_6-31+G(d).dat | 2 +- static/data/abs/difluorodiazirine_CC3(FC)_aug-cc-pVDZ.dat | 2 +- static/data/abs/difluorodiazirine_CC3(FC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/difluorodiazirine_CC3(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/difluorodiazirine_CC3_6-31+G(d).dat | 2 +- static/data/abs/difluorodiazirine_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/difluorodiazirine_CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/difluorodiazirine_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/difluorodiazirine_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/difluorodiazirine_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/difluorodiazirine_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/difluorodiazirine_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/difluorodiazirine_CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/difluorodiazirine_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/difluorodiazirine_EOM-MP2_aug-cc-pVTZ.dat | 2 +- static/data/abs/difluorodiazirine_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- .../data/abs/difluorodiazirine_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- .../data/abs/difluorodiazirine_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/difluorodiazirine_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/difluorodiazirine_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/difluorodiazirine_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/difluorodiazirine_TBE_CBS.dat | 2 +- static/data/abs/f2bo_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/f2bo_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/f2bo_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/f2bo_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/f2bo_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/f2bs_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/f2bs_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/f2bs_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/f2bs_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/f2bs_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/formylfluoride_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/formylfluoride_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- static/data/abs/formylfluoride_ADC(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/formylfluoride_CC2_aug-cc-pVTZ.dat | 2 +- static/data/abs/formylfluoride_CC3(FC)_6-31+G(d).dat | 2 +- static/data/abs/formylfluoride_CC3(FC)_aug-cc-pV5Z.dat | 2 +- static/data/abs/formylfluoride_CC3(FC)_aug-cc-pVDZ.dat | 2 +- static/data/abs/formylfluoride_CC3(FC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/formylfluoride_CC3(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/formylfluoride_CC3(Full)_aug-cc-pCVQZ.dat | 2 +- static/data/abs/formylfluoride_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/formylfluoride_CC3_6-31+G(d).dat | 2 +- static/data/abs/formylfluoride_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/formylfluoride_CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/formylfluoride_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/formylfluoride_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/formylfluoride_CCSDTQ_6-31+G(d).dat | 2 +- static/data/abs/formylfluoride_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/formylfluoride_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/formylfluoride_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/formylfluoride_CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/formylfluoride_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/formylfluoride_EOM-MP2_aug-cc-pVTZ.dat | 2 +- static/data/abs/formylfluoride_FCI_aug-cc-pVDZ.dat | 2 +- static/data/abs/formylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/formylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/formylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/formylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/formylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/formylfluoride_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/formylfluoride_TBE_CBS.dat | 2 +- static/data/abs/h2bo_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2bo_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2bo_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2bo_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2bo_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2po_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2po_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2po_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2po_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2po_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2ps_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2ps_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2ps_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2ps_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/h2ps_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_ADC(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_CC2_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_CC3(FC)_6-31+G(d).dat | 2 +- static/data/abs/hccl_CC3(FC)_aug-cc-pV5Z.dat | 2 +- static/data/abs/hccl_CC3(FC)_aug-cc-pVDZ.dat | 2 +- static/data/abs/hccl_CC3(FC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hccl_CC3(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_CC3(Full)_aug-cc-pCVQZ.dat | 2 +- static/data/abs/hccl_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hccl_CC3(SC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hccl_CC3_6-31+G(d).dat | 2 +- static/data/abs/hccl_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/hccl_CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_CCSDTQP_6-31+G(d).dat | 2 +- static/data/abs/hccl_CCSDTQ_6-31+G(d).dat | 2 +- static/data/abs/hccl_CCSDTQ_aug-cc-pVDZ.dat | 2 +- static/data/abs/hccl_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/hccl_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/hccl_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_EOM-MP2_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_FCI_aug-cc-pVDZ.dat | 2 +- static/data/abs/hccl_FCI_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hccl_TBE_CBS.dat | 2 +- static/data/abs/hcf_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_ADC(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_CC2_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_CC3(FC)_6-31+G(d).dat | 2 +- static/data/abs/hcf_CC3(FC)_aug-cc-pV5Z.dat | 2 +- static/data/abs/hcf_CC3(FC)_aug-cc-pVDZ.dat | 2 +- static/data/abs/hcf_CC3(FC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hcf_CC3(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_CC3(Full)_aug-cc-pCVQZ.dat | 2 +- static/data/abs/hcf_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hcf_CC3_6-31+G(d).dat | 2 +- static/data/abs/hcf_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/hcf_CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_CCSDTQP_6-31+G(d).dat | 2 +- static/data/abs/hcf_CCSDTQ_6-31+G(d).dat | 2 +- static/data/abs/hcf_CCSDTQ_aug-cc-pVDZ.dat | 2 +- static/data/abs/hcf_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/hcf_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/hcf_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_EOM-MP2_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_FCI_aug-cc-pVDZ.dat | 2 +- static/data/abs/hcf_FCI_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcf_TBE_CBS.dat | 2 +- static/data/abs/hco_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hco_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hco_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hco_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hco_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_ADC(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_CC2_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_CC3(FC)_6-31+G(d).dat | 2 +- static/data/abs/hcp_CC3(FC)_aug-cc-pV5Z.dat | 2 +- static/data/abs/hcp_CC3(FC)_aug-cc-pVDZ.dat | 2 +- static/data/abs/hcp_CC3(FC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hcp_CC3(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_CC3(Full)_aug-cc-pCVQZ.dat | 2 +- static/data/abs/hcp_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hcp_CC3(SC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hcp_CC3_6-31+G(d).dat | 2 +- static/data/abs/hcp_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/hcp_CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_CCSDTQP_6-31+G(d).dat | 2 +- static/data/abs/hcp_CCSDTQ_6-31+G(d).dat | 2 +- static/data/abs/hcp_CCSDTQ_aug-cc-pVDZ.dat | 2 +- static/data/abs/hcp_CCSDTQ_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/hcp_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/hcp_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_EOM-MP2_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_FCI_aug-cc-pVDZ.dat | 2 +- static/data/abs/hcp_FCI_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hcp_TBE_CBS.dat | 2 +- static/data/abs/hoc_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hoc_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hoc_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hoc_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hoc_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_ADC(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_CC2_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_CC3(FC)_6-31+G(d).dat | 2 +- static/data/abs/hpo_CC3(FC)_aug-cc-pV5Z.dat | 2 +- static/data/abs/hpo_CC3(FC)_aug-cc-pVDZ.dat | 2 +- static/data/abs/hpo_CC3(FC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hpo_CC3(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_CC3(Full)_aug-cc-pCVQZ.dat | 2 +- static/data/abs/hpo_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hpo_CC3(SC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hpo_CC3_6-31+G(d).dat | 2 +- static/data/abs/hpo_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/hpo_CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_CCSDTQP_6-31+G(d).dat | 2 +- static/data/abs/hpo_CCSDTQ_6-31+G(d).dat | 2 +- static/data/abs/hpo_CCSDTQ_aug-cc-pVDZ.dat | 2 +- static/data/abs/hpo_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/hpo_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/hpo_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_EOM-MP2_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_FCI_aug-cc-pVDZ.dat | 2 +- static/data/abs/hpo_FCI_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hpo_TBE_CBS.dat | 2 +- static/data/abs/hps_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_ADC(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_CC2_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_CC3(FC)_6-31+G(d).dat | 2 +- static/data/abs/hps_CC3(FC)_aug-cc-pV5Z.dat | 2 +- static/data/abs/hps_CC3(FC)_aug-cc-pVDZ.dat | 2 +- static/data/abs/hps_CC3(FC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hps_CC3(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_CC3(Full)_aug-cc-pCVQZ.dat | 2 +- static/data/abs/hps_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hps_CC3(SC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hps_CC3_6-31+G(d).dat | 2 +- static/data/abs/hps_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/hps_CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_CCSDTQP_6-31+G(d).dat | 2 +- static/data/abs/hps_CCSDTQ_6-31+G(d).dat | 2 +- static/data/abs/hps_CCSDTQ_aug-cc-pVDZ.dat | 2 +- static/data/abs/hps_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/hps_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/hps_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_EOM-MP2_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_FCI_aug-cc-pVDZ.dat | 2 +- static/data/abs/hps_FCI_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hps_TBE_CBS.dat | 2 +- static/data/abs/hsif_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_ADC(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_CC2_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_CC3(FC)_6-31+G(d).dat | 2 +- static/data/abs/hsif_CC3(FC)_aug-cc-pV5Z.dat | 2 +- static/data/abs/hsif_CC3(FC)_aug-cc-pVDZ.dat | 2 +- static/data/abs/hsif_CC3(FC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hsif_CC3(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_CC3(Full)_aug-cc-pCVQZ.dat | 2 +- static/data/abs/hsif_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hsif_CC3(SC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/hsif_CC3_6-31+G(d).dat | 2 +- static/data/abs/hsif_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/hsif_CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_CCSDTQP_6-31+G(d).dat | 2 +- static/data/abs/hsif_CCSDTQ_6-31+G(d).dat | 2 +- static/data/abs/hsif_CCSDTQ_aug-cc-pVDZ.dat | 2 +- static/data/abs/hsif_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/hsif_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/hsif_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_EOM-MP2_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_FCI_aug-cc-pVDZ.dat | 2 +- static/data/abs/hsif_FCI_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/hsif_TBE_CBS.dat | 2 +- static/data/abs/nco_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/nco_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/nco_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/nco_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/nco_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/nh2_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/nh2_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/nh2_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/nh2_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/nh2_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/nitromethyl_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/nitromethyl_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/nitromethyl_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/nitromethyl_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/nitromethyl_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/no_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/no_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/no_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/no_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/no_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/oh_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/oh_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/oh_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/oh_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/oh_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/ph2_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/ph2_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/ph2_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/ph2_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/ph2_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_ADC(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_CC2_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_CC3(FC)_6-31+G(d).dat | 2 +- static/data/abs/sicl2_CC3(FC)_aug-cc-pV5Z.dat | 2 +- static/data/abs/sicl2_CC3(FC)_aug-cc-pVDZ.dat | 2 +- static/data/abs/sicl2_CC3(FC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/sicl2_CC3(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_CC3(Full)_aug-cc-pCVQZ.dat | 2 +- static/data/abs/sicl2_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/sicl2_CC3(SC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/sicl2_CC3_6-31+G(d).dat | 2 +- static/data/abs/sicl2_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/sicl2_CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_CCSDTQ_6-31+G(d).dat | 2 +- static/data/abs/sicl2_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/sicl2_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/sicl2_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_EOM-MP2_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_FCI_aug-cc-pVDZ.dat | 2 +- static/data/abs/sicl2_FCI_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/sicl2_TBE_CBS.dat | 2 +- static/data/abs/silylidene_ADC(2)_aug-cc-pVTZ.dat | 2 +- static/data/abs/silylidene_ADC(2.5)_aug-cc-pVTZ.dat | 2 +- static/data/abs/silylidene_ADC(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/silylidene_CC2_aug-cc-pVTZ.dat | 2 +- static/data/abs/silylidene_CC3(FC)_6-31+G(d).dat | 2 +- static/data/abs/silylidene_CC3(FC)_aug-cc-pV5Z.dat | 2 +- static/data/abs/silylidene_CC3(FC)_aug-cc-pVDZ.dat | 2 +- static/data/abs/silylidene_CC3(FC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/silylidene_CC3(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/silylidene_CC3(Full)_aug-cc-pCVQZ.dat | 2 +- static/data/abs/silylidene_CC3(Full)_aug-cc-pVQZ.dat | 2 +- static/data/abs/silylidene_CC3(SC)_aug-cc-pVQZ.dat | 2 +- static/data/abs/silylidene_CC3_6-31+G(d).dat | 2 +- static/data/abs/silylidene_CC3_aug-cc-pVDZ.dat | 2 +- static/data/abs/silylidene_CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/silylidene_CCSDR(3)_aug-cc-pVTZ.dat | 2 +- static/data/abs/silylidene_CCSDT-3_aug-cc-pVTZ.dat | 2 +- static/data/abs/silylidene_CCSDTQP_6-31+G(d).dat | 2 +- static/data/abs/silylidene_CCSDTQ_6-31+G(d).dat | 2 +- static/data/abs/silylidene_CCSDTQ_aug-cc-pVDZ.dat | 2 +- static/data/abs/silylidene_CCSDTQ_aug-cc-pVTZ.dat | 2 +- static/data/abs/silylidene_CCSDT_6-31+G(d).dat | 2 +- static/data/abs/silylidene_CCSDT_aug-cc-pVDZ.dat | 2 +- static/data/abs/silylidene_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/silylidene_CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/silylidene_CIS(D)_aug-cc-pVTZ.dat | 2 +- static/data/abs/silylidene_EOM-MP2_aug-cc-pVTZ.dat | 2 +- static/data/abs/silylidene_FCI_aug-cc-pVDZ.dat | 2 +- static/data/abs/silylidene_FCI_aug-cc-pVTZ.dat | 2 +- static/data/abs/silylidene_SCS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/silylidene_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/silylidene_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/silylidene_SOS-CC2 [TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/silylidene_STEOM-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/silylidene_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/silylidene_TBE_CBS.dat | 2 +- static/data/abs/vinyl_RO-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/vinyl_RO-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/abs/vinyl_TBE(FC)_aug-cc-pVTZ.dat | 2 +- static/data/abs/vinyl_U-CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/vinyl_U-CCSD_aug-cc-pVTZ.dat | 2 +- static/data/publis.yaml | 2 +- 582 files changed, 582 insertions(+), 582 deletions(-) diff --git a/static/data/abs/allyl_RO-CC3_aug-cc-pVTZ.dat b/static/data/abs/allyl_RO-CC3_aug-cc-pVTZ.dat index c47fa078..126915a7 100644 --- a/static/data/abs/allyl_RO-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/allyl_RO-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/allyl_RO-CCSD_aug-cc-pVTZ.dat b/static/data/abs/allyl_RO-CCSD_aug-cc-pVTZ.dat index 71f13600..4fafc245 100644 --- a/static/data/abs/allyl_RO-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/allyl_RO-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/allyl_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/allyl_TBE(FC)_aug-cc-pVTZ.dat index 3fff66e2..2c3553f4 100644 --- a/static/data/abs/allyl_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/allyl_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/allyl_U-CC3_aug-cc-pVTZ.dat b/static/data/abs/allyl_U-CC3_aug-cc-pVTZ.dat index c6d549ec..57764e83 100644 --- a/static/data/abs/allyl_U-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/allyl_U-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/allyl_U-CCSD_aug-cc-pVTZ.dat b/static/data/abs/allyl_U-CCSD_aug-cc-pVTZ.dat index 4adba89f..09927233 100644 --- a/static/data/abs/allyl_U-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/allyl_U-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/bef_RO-CC3_aug-cc-pVTZ.dat b/static/data/abs/bef_RO-CC3_aug-cc-pVTZ.dat index e3b22b18..c4f2e33a 100644 --- a/static/data/abs/bef_RO-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/bef_RO-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/bef_RO-CCSD_aug-cc-pVTZ.dat b/static/data/abs/bef_RO-CCSD_aug-cc-pVTZ.dat index 0acbf537..2313c409 100644 --- a/static/data/abs/bef_RO-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/bef_RO-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/bef_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/bef_TBE(FC)_aug-cc-pVTZ.dat index dba0d12f..ffffd0db 100644 --- a/static/data/abs/bef_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/bef_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/bef_U-CC3_aug-cc-pVTZ.dat b/static/data/abs/bef_U-CC3_aug-cc-pVTZ.dat index 27ea5e2f..59231be6 100644 --- a/static/data/abs/bef_U-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/bef_U-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/bef_U-CCSD_aug-cc-pVTZ.dat b/static/data/abs/bef_U-CCSD_aug-cc-pVTZ.dat index e95bc099..71df061f 100644 --- a/static/data/abs/bef_U-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/bef_U-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/beh_RO-CC3_aug-cc-pVTZ.dat b/static/data/abs/beh_RO-CC3_aug-cc-pVTZ.dat index 1679ee0a..46005ada 100644 --- a/static/data/abs/beh_RO-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/beh_RO-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/beh_RO-CCSD_aug-cc-pVTZ.dat b/static/data/abs/beh_RO-CCSD_aug-cc-pVTZ.dat index 248686fc..414aaf36 100644 --- a/static/data/abs/beh_RO-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/beh_RO-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/beh_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/beh_TBE(FC)_aug-cc-pVTZ.dat index 93b5a075..55bf2583 100644 --- a/static/data/abs/beh_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/beh_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/beh_U-CC3_aug-cc-pVTZ.dat b/static/data/abs/beh_U-CC3_aug-cc-pVTZ.dat index f448332b..78d6865c 100644 --- a/static/data/abs/beh_U-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/beh_U-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/beh_U-CCSD_aug-cc-pVTZ.dat b/static/data/abs/beh_U-CCSD_aug-cc-pVTZ.dat index be2882d8..d66c4473 100644 --- a/static/data/abs/beh_U-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/beh_U-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/bh2_RO-CC3_aug-cc-pVTZ.dat b/static/data/abs/bh2_RO-CC3_aug-cc-pVTZ.dat index f46aa910..0447cfb7 100644 --- a/static/data/abs/bh2_RO-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/bh2_RO-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/bh2_RO-CCSD_aug-cc-pVTZ.dat b/static/data/abs/bh2_RO-CCSD_aug-cc-pVTZ.dat index ed8a1703..e2e2f964 100644 --- a/static/data/abs/bh2_RO-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/bh2_RO-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/bh2_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/bh2_TBE(FC)_aug-cc-pVTZ.dat index 3bd8b7e7..57f2bc16 100644 --- a/static/data/abs/bh2_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/bh2_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/bh2_U-CC3_aug-cc-pVTZ.dat b/static/data/abs/bh2_U-CC3_aug-cc-pVTZ.dat index 796ea2a8..f1137be3 100644 --- a/static/data/abs/bh2_U-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/bh2_U-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/bh2_U-CCSD_aug-cc-pVTZ.dat b/static/data/abs/bh2_U-CCSD_aug-cc-pVTZ.dat index b101943c..27c89b4e 100644 --- a/static/data/abs/bh2_U-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/bh2_U-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_ADC(2)_aug-cc-pVTZ.dat index 995c888f..12acfc43 100644 --- a/static/data/abs/carbonylfluoride_ADC(2)_aug-cc-pVTZ.dat +++ b/static/data/abs/carbonylfluoride_ADC(2)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_ADC(2.5)_aug-cc-pVTZ.dat index 48482d32..1d482f3b 100644 --- a/static/data/abs/carbonylfluoride_ADC(2.5)_aug-cc-pVTZ.dat +++ b/static/data/abs/carbonylfluoride_ADC(2.5)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2.5),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_ADC(3)_aug-cc-pVTZ.dat index b197aaaf..8fe8a36e 100644 --- a/static/data/abs/carbonylfluoride_ADC(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/carbonylfluoride_ADC(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_CC2_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_CC2_aug-cc-pVTZ.dat index 2b3ff276..54a95fb1 100644 --- a/static/data/abs/carbonylfluoride_CC2_aug-cc-pVTZ.dat +++ b/static/data/abs/carbonylfluoride_CC2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_CC3(FC)_6-31+G(d).dat b/static/data/abs/carbonylfluoride_CC3(FC)_6-31+G(d).dat index 95c27a42..c7f7c840 100644 --- a/static/data/abs/carbonylfluoride_CC3(FC)_6-31+G(d).dat +++ b/static/data/abs/carbonylfluoride_CC3(FC)_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_CC3(FC)_aug-cc-pV5Z.dat b/static/data/abs/carbonylfluoride_CC3(FC)_aug-cc-pV5Z.dat index cafb10fb..0239deb4 100644 --- a/static/data/abs/carbonylfluoride_CC3(FC)_aug-cc-pV5Z.dat +++ b/static/data/abs/carbonylfluoride_CC3(FC)_aug-cc-pV5Z.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pV5Z # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/carbonylfluoride_CC3(FC)_aug-cc-pVDZ.dat index 9360d48f..d2cd52f1 100644 --- a/static/data/abs/carbonylfluoride_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/carbonylfluoride_CC3(FC)_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/carbonylfluoride_CC3(FC)_aug-cc-pVQZ.dat index decf14f5..11dde89d 100644 --- a/static/data/abs/carbonylfluoride_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/carbonylfluoride_CC3(FC)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_CC3(FC)_aug-cc-pVTZ.dat index 016481f1..3154223e 100644 --- a/static/data/abs/carbonylfluoride_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/carbonylfluoride_CC3(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/carbonylfluoride_CC3(Full)_aug-cc-pCVQZ.dat index f70bb56d..1164fd8b 100644 --- a/static/data/abs/carbonylfluoride_CC3(Full)_aug-cc-pCVQZ.dat +++ b/static/data/abs/carbonylfluoride_CC3(Full)_aug-cc-pCVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(Full),aug-cc-pCVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/carbonylfluoride_CC3(Full)_aug-cc-pVQZ.dat index fe08cdd2..32d87d56 100644 --- a/static/data/abs/carbonylfluoride_CC3(Full)_aug-cc-pVQZ.dat +++ b/static/data/abs/carbonylfluoride_CC3(Full)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(Full),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_CC3_6-31+G(d).dat b/static/data/abs/carbonylfluoride_CC3_6-31+G(d).dat index 8d071c45..94b5fde4 100644 --- a/static/data/abs/carbonylfluoride_CC3_6-31+G(d).dat +++ b/static/data/abs/carbonylfluoride_CC3_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_CC3_aug-cc-pVDZ.dat b/static/data/abs/carbonylfluoride_CC3_aug-cc-pVDZ.dat index 00a1c07e..92d8f791 100644 --- a/static/data/abs/carbonylfluoride_CC3_aug-cc-pVDZ.dat +++ b/static/data/abs/carbonylfluoride_CC3_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_CC3_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_CC3_aug-cc-pVTZ.dat index 6a584c4c..28b20a15 100644 --- a/static/data/abs/carbonylfluoride_CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/carbonylfluoride_CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_CCSDR(3)_aug-cc-pVTZ.dat index 4efd78de..f802a649 100644 --- a/static/data/abs/carbonylfluoride_CCSDR(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/carbonylfluoride_CCSDR(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDR(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_CCSDT-3_aug-cc-pVTZ.dat index 6947967f..ee388981 100644 --- a/static/data/abs/carbonylfluoride_CCSDT-3_aug-cc-pVTZ.dat +++ b/static/data/abs/carbonylfluoride_CCSDT-3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT-3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_CCSDT_6-31+G(d).dat b/static/data/abs/carbonylfluoride_CCSDT_6-31+G(d).dat index dde7b93d..ec5c7e96 100644 --- a/static/data/abs/carbonylfluoride_CCSDT_6-31+G(d).dat +++ b/static/data/abs/carbonylfluoride_CCSDT_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/carbonylfluoride_CCSDT_aug-cc-pVDZ.dat index 6fc4e0c4..76c94748 100644 --- a/static/data/abs/carbonylfluoride_CCSDT_aug-cc-pVDZ.dat +++ b/static/data/abs/carbonylfluoride_CCSDT_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_CCSDT_aug-cc-pVTZ.dat index 91c91c26..68f2e85b 100644 --- a/static/data/abs/carbonylfluoride_CCSDT_aug-cc-pVTZ.dat +++ b/static/data/abs/carbonylfluoride_CCSDT_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_CCSD_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_CCSD_aug-cc-pVTZ.dat index ff5276d1..0b001fef 100644 --- a/static/data/abs/carbonylfluoride_CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/carbonylfluoride_CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_CIS(D)_aug-cc-pVTZ.dat index 83882bba..c82be972 100644 --- a/static/data/abs/carbonylfluoride_CIS(D)_aug-cc-pVTZ.dat +++ b/static/data/abs/carbonylfluoride_CIS(D)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CIS(D),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_EOM-MP2_aug-cc-pVTZ.dat index abeeed85..033e4aa5 100644 --- a/static/data/abs/carbonylfluoride_EOM-MP2_aug-cc-pVTZ.dat +++ b/static/data/abs/carbonylfluoride_EOM-MP2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : EOM-MP2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_FCI_aug-cc-pVDZ.dat b/static/data/abs/carbonylfluoride_FCI_aug-cc-pVDZ.dat index 743a99aa..4c7298dc 100644 --- a/static/data/abs/carbonylfluoride_FCI_aug-cc-pVDZ.dat +++ b/static/data/abs/carbonylfluoride_FCI_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : FCI,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_FCI_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_FCI_aug-cc-pVTZ.dat index 33b01789..306ff797 100644 --- a/static/data/abs/carbonylfluoride_FCI_aug-cc-pVTZ.dat +++ b/static/data/abs/carbonylfluoride_FCI_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : FCI,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat index 272ebd2a..bbe6e1a0 100644 --- a/static/data/abs/carbonylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/carbonylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SCS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat index d58b7086..d48bcf46 100644 --- a/static/data/abs/carbonylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat +++ b/static/data/abs/carbonylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [QM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat index 1737f0a7..a295543c 100644 --- a/static/data/abs/carbonylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/carbonylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat index f805d975..6075a258 100644 --- a/static/data/abs/carbonylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/carbonylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat index 4b6f4819..351ca24b 100644 --- a/static/data/abs/carbonylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/carbonylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : STEOM-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_TBE(FC)_aug-cc-pVTZ.dat index 60b15961..1000933d 100644 --- a/static/data/abs/carbonylfluoride_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/carbonylfluoride_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/carbonylfluoride_TBE_CBS.dat b/static/data/abs/carbonylfluoride_TBE_CBS.dat index f9239eb6..13bc1326 100644 --- a/static/data/abs/carbonylfluoride_TBE_CBS.dat +++ b/static/data/abs/carbonylfluoride_TBE_CBS.dat @@ -3,7 +3,7 @@ # code : # method : TBE,CBS # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/ccl2_ADC(2)_aug-cc-pVTZ.dat index d080187f..5bda4c39 100644 --- a/static/data/abs/ccl2_ADC(2)_aug-cc-pVTZ.dat +++ b/static/data/abs/ccl2_ADC(2)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/ccl2_ADC(2.5)_aug-cc-pVTZ.dat index c2ba3a56..f53fea2e 100644 --- a/static/data/abs/ccl2_ADC(2.5)_aug-cc-pVTZ.dat +++ b/static/data/abs/ccl2_ADC(2.5)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2.5),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/ccl2_ADC(3)_aug-cc-pVTZ.dat index 0b0eeabd..2cc02457 100644 --- a/static/data/abs/ccl2_ADC(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/ccl2_ADC(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_CC2_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CC2_aug-cc-pVTZ.dat index 976ac84d..14adcc5f 100644 --- a/static/data/abs/ccl2_CC2_aug-cc-pVTZ.dat +++ b/static/data/abs/ccl2_CC2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_CC3(FC)_6-31+G(d).dat b/static/data/abs/ccl2_CC3(FC)_6-31+G(d).dat index 2f878e08..805e239d 100644 --- a/static/data/abs/ccl2_CC3(FC)_6-31+G(d).dat +++ b/static/data/abs/ccl2_CC3(FC)_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_CC3(FC)_aug-cc-pV5Z.dat b/static/data/abs/ccl2_CC3(FC)_aug-cc-pV5Z.dat index 7afbb33e..7bbd31b5 100644 --- a/static/data/abs/ccl2_CC3(FC)_aug-cc-pV5Z.dat +++ b/static/data/abs/ccl2_CC3(FC)_aug-cc-pV5Z.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pV5Z # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/ccl2_CC3(FC)_aug-cc-pVDZ.dat index fa69ca06..8b71a593 100644 --- a/static/data/abs/ccl2_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/ccl2_CC3(FC)_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/ccl2_CC3(FC)_aug-cc-pVQZ.dat index 4860cd27..7497ec09 100644 --- a/static/data/abs/ccl2_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/ccl2_CC3(FC)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CC3(FC)_aug-cc-pVTZ.dat index f2303949..84fc67bf 100644 --- a/static/data/abs/ccl2_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/ccl2_CC3(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/ccl2_CC3(Full)_aug-cc-pCVQZ.dat index 668c5fa7..58dc4c64 100644 --- a/static/data/abs/ccl2_CC3(Full)_aug-cc-pCVQZ.dat +++ b/static/data/abs/ccl2_CC3(Full)_aug-cc-pCVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(Full),aug-cc-pCVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/ccl2_CC3(Full)_aug-cc-pVQZ.dat index 390027ef..8f504254 100644 --- a/static/data/abs/ccl2_CC3(Full)_aug-cc-pVQZ.dat +++ b/static/data/abs/ccl2_CC3(Full)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(Full),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_CC3(SC)_aug-cc-pVQZ.dat b/static/data/abs/ccl2_CC3(SC)_aug-cc-pVQZ.dat index 31857b15..d7c122ee 100644 --- a/static/data/abs/ccl2_CC3(SC)_aug-cc-pVQZ.dat +++ b/static/data/abs/ccl2_CC3(SC)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(SC),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_CC3_6-31+G(d).dat b/static/data/abs/ccl2_CC3_6-31+G(d).dat index 45024075..b0762ccf 100644 --- a/static/data/abs/ccl2_CC3_6-31+G(d).dat +++ b/static/data/abs/ccl2_CC3_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_CC3_aug-cc-pVDZ.dat b/static/data/abs/ccl2_CC3_aug-cc-pVDZ.dat index b899d42f..2a3070a7 100644 --- a/static/data/abs/ccl2_CC3_aug-cc-pVDZ.dat +++ b/static/data/abs/ccl2_CC3_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_CC3_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CC3_aug-cc-pVTZ.dat index 6879205d..8990cdf4 100644 --- a/static/data/abs/ccl2_CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/ccl2_CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CCSDR(3)_aug-cc-pVTZ.dat index 3bb9972e..565a76f5 100644 --- a/static/data/abs/ccl2_CCSDR(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/ccl2_CCSDR(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDR(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CCSDT-3_aug-cc-pVTZ.dat index 62a862ff..50486fcf 100644 --- a/static/data/abs/ccl2_CCSDT-3_aug-cc-pVTZ.dat +++ b/static/data/abs/ccl2_CCSDT-3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT-3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_CCSDTQ_6-31+G(d).dat b/static/data/abs/ccl2_CCSDTQ_6-31+G(d).dat index 5c281ee5..81274080 100644 --- a/static/data/abs/ccl2_CCSDTQ_6-31+G(d).dat +++ b/static/data/abs/ccl2_CCSDTQ_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQ,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_CCSDT_6-31+G(d).dat b/static/data/abs/ccl2_CCSDT_6-31+G(d).dat index 9a564ac8..f73cc835 100644 --- a/static/data/abs/ccl2_CCSDT_6-31+G(d).dat +++ b/static/data/abs/ccl2_CCSDT_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/ccl2_CCSDT_aug-cc-pVDZ.dat index 077cf92f..fcb0f8e5 100644 --- a/static/data/abs/ccl2_CCSDT_aug-cc-pVDZ.dat +++ b/static/data/abs/ccl2_CCSDT_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CCSDT_aug-cc-pVTZ.dat index 0dad2848..a09e2403 100644 --- a/static/data/abs/ccl2_CCSDT_aug-cc-pVTZ.dat +++ b/static/data/abs/ccl2_CCSDT_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_CCSD_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CCSD_aug-cc-pVTZ.dat index 9ea5827a..bc698c70 100644 --- a/static/data/abs/ccl2_CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/ccl2_CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CIS(D)_aug-cc-pVTZ.dat index 6aebb497..9ca02059 100644 --- a/static/data/abs/ccl2_CIS(D)_aug-cc-pVTZ.dat +++ b/static/data/abs/ccl2_CIS(D)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CIS(D),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/ccl2_EOM-MP2_aug-cc-pVTZ.dat index 0d7701ec..3f0baf86 100644 --- a/static/data/abs/ccl2_EOM-MP2_aug-cc-pVTZ.dat +++ b/static/data/abs/ccl2_EOM-MP2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : EOM-MP2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_FCI_aug-cc-pVDZ.dat b/static/data/abs/ccl2_FCI_aug-cc-pVDZ.dat index b6b0b583..c87379dd 100644 --- a/static/data/abs/ccl2_FCI_aug-cc-pVDZ.dat +++ b/static/data/abs/ccl2_FCI_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : FCI,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_FCI_aug-cc-pVTZ.dat b/static/data/abs/ccl2_FCI_aug-cc-pVTZ.dat index 1652504c..a91532fc 100644 --- a/static/data/abs/ccl2_FCI_aug-cc-pVTZ.dat +++ b/static/data/abs/ccl2_FCI_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : FCI,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat index 85dfe3c8..97c39b94 100644 --- a/static/data/abs/ccl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/ccl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SCS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat index df3460a5..2c71fbf1 100644 --- a/static/data/abs/ccl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat +++ b/static/data/abs/ccl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [QM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat index b1bdc9c5..53ed848a 100644 --- a/static/data/abs/ccl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/ccl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat index 041458b9..47a1a043 100644 --- a/static/data/abs/ccl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/ccl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/ccl2_STEOM-CCSD_aug-cc-pVTZ.dat index 77f5ab10..0193b1c2 100644 --- a/static/data/abs/ccl2_STEOM-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/ccl2_STEOM-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : STEOM-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/ccl2_TBE(FC)_aug-cc-pVTZ.dat index e3c63d86..87b39f92 100644 --- a/static/data/abs/ccl2_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/ccl2_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ccl2_TBE_CBS.dat b/static/data/abs/ccl2_TBE_CBS.dat index 27073cd8..72ef1614 100644 --- a/static/data/abs/ccl2_TBE_CBS.dat +++ b/static/data/abs/ccl2_TBE_CBS.dat @@ -3,7 +3,7 @@ # code : # method : TBE,CBS # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/cclf_ADC(2)_aug-cc-pVTZ.dat index d35cacb3..d955da3e 100644 --- a/static/data/abs/cclf_ADC(2)_aug-cc-pVTZ.dat +++ b/static/data/abs/cclf_ADC(2)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/cclf_ADC(2.5)_aug-cc-pVTZ.dat index 5ebd6ab0..f90831d6 100644 --- a/static/data/abs/cclf_ADC(2.5)_aug-cc-pVTZ.dat +++ b/static/data/abs/cclf_ADC(2.5)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2.5),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/cclf_ADC(3)_aug-cc-pVTZ.dat index f452b81c..75fd920f 100644 --- a/static/data/abs/cclf_ADC(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/cclf_ADC(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_CC2_aug-cc-pVTZ.dat b/static/data/abs/cclf_CC2_aug-cc-pVTZ.dat index bc9c9287..913feab9 100644 --- a/static/data/abs/cclf_CC2_aug-cc-pVTZ.dat +++ b/static/data/abs/cclf_CC2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_CC3(FC)_6-31+G(d).dat b/static/data/abs/cclf_CC3(FC)_6-31+G(d).dat index a35e8b06..63359973 100644 --- a/static/data/abs/cclf_CC3(FC)_6-31+G(d).dat +++ b/static/data/abs/cclf_CC3(FC)_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_CC3(FC)_aug-cc-pV5Z.dat b/static/data/abs/cclf_CC3(FC)_aug-cc-pV5Z.dat index 20d85a8e..de01e478 100644 --- a/static/data/abs/cclf_CC3(FC)_aug-cc-pV5Z.dat +++ b/static/data/abs/cclf_CC3(FC)_aug-cc-pV5Z.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pV5Z # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/cclf_CC3(FC)_aug-cc-pVDZ.dat index d4d37b67..2e437fa5 100644 --- a/static/data/abs/cclf_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/cclf_CC3(FC)_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/cclf_CC3(FC)_aug-cc-pVQZ.dat index 70a90d4a..c7b2c7ad 100644 --- a/static/data/abs/cclf_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/cclf_CC3(FC)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/cclf_CC3(FC)_aug-cc-pVTZ.dat index b63493ef..fbe822ca 100644 --- a/static/data/abs/cclf_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/cclf_CC3(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/cclf_CC3(Full)_aug-cc-pCVQZ.dat index c6f70829..a242beb2 100644 --- a/static/data/abs/cclf_CC3(Full)_aug-cc-pCVQZ.dat +++ b/static/data/abs/cclf_CC3(Full)_aug-cc-pCVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(Full),aug-cc-pCVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/cclf_CC3(Full)_aug-cc-pVQZ.dat index 31b85f6e..12e3ca5e 100644 --- a/static/data/abs/cclf_CC3(Full)_aug-cc-pVQZ.dat +++ b/static/data/abs/cclf_CC3(Full)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(Full),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_CC3(SC)_aug-cc-pVQZ.dat b/static/data/abs/cclf_CC3(SC)_aug-cc-pVQZ.dat index 3ed1b8d6..46646045 100644 --- a/static/data/abs/cclf_CC3(SC)_aug-cc-pVQZ.dat +++ b/static/data/abs/cclf_CC3(SC)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(SC),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_CC3_6-31+G(d).dat b/static/data/abs/cclf_CC3_6-31+G(d).dat index a3e82755..680b0d19 100644 --- a/static/data/abs/cclf_CC3_6-31+G(d).dat +++ b/static/data/abs/cclf_CC3_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_CC3_aug-cc-pVDZ.dat b/static/data/abs/cclf_CC3_aug-cc-pVDZ.dat index e7fd9643..672f3168 100644 --- a/static/data/abs/cclf_CC3_aug-cc-pVDZ.dat +++ b/static/data/abs/cclf_CC3_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_CC3_aug-cc-pVTZ.dat b/static/data/abs/cclf_CC3_aug-cc-pVTZ.dat index db5030fe..9baa7c2e 100644 --- a/static/data/abs/cclf_CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/cclf_CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/cclf_CCSDR(3)_aug-cc-pVTZ.dat index e52ec50f..c1b1d93a 100644 --- a/static/data/abs/cclf_CCSDR(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/cclf_CCSDR(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDR(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cclf_CCSDT-3_aug-cc-pVTZ.dat index 129ddb7b..e0e85757 100644 --- a/static/data/abs/cclf_CCSDT-3_aug-cc-pVTZ.dat +++ b/static/data/abs/cclf_CCSDT-3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT-3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_CCSDTQ_6-31+G(d).dat b/static/data/abs/cclf_CCSDTQ_6-31+G(d).dat index d2f5bb4e..b5e32f5a 100644 --- a/static/data/abs/cclf_CCSDTQ_6-31+G(d).dat +++ b/static/data/abs/cclf_CCSDTQ_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQ,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_CCSDT_6-31+G(d).dat b/static/data/abs/cclf_CCSDT_6-31+G(d).dat index dde975f0..7feb5fed 100644 --- a/static/data/abs/cclf_CCSDT_6-31+G(d).dat +++ b/static/data/abs/cclf_CCSDT_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/cclf_CCSDT_aug-cc-pVDZ.dat index 0ac97b65..d7f71697 100644 --- a/static/data/abs/cclf_CCSDT_aug-cc-pVDZ.dat +++ b/static/data/abs/cclf_CCSDT_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/cclf_CCSDT_aug-cc-pVTZ.dat index 92d25f02..f4e07f0b 100644 --- a/static/data/abs/cclf_CCSDT_aug-cc-pVTZ.dat +++ b/static/data/abs/cclf_CCSDT_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_CCSD_aug-cc-pVTZ.dat b/static/data/abs/cclf_CCSD_aug-cc-pVTZ.dat index 5bd6fd2d..13e1a295 100644 --- a/static/data/abs/cclf_CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/cclf_CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/cclf_CIS(D)_aug-cc-pVTZ.dat index 72328c6d..67732e2c 100644 --- a/static/data/abs/cclf_CIS(D)_aug-cc-pVTZ.dat +++ b/static/data/abs/cclf_CIS(D)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CIS(D),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/cclf_EOM-MP2_aug-cc-pVTZ.dat index cc1a6ec5..05bf6e9c 100644 --- a/static/data/abs/cclf_EOM-MP2_aug-cc-pVTZ.dat +++ b/static/data/abs/cclf_EOM-MP2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : EOM-MP2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_FCI_aug-cc-pVDZ.dat b/static/data/abs/cclf_FCI_aug-cc-pVDZ.dat index 4b195793..e3941c5d 100644 --- a/static/data/abs/cclf_FCI_aug-cc-pVDZ.dat +++ b/static/data/abs/cclf_FCI_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : FCI,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_FCI_aug-cc-pVTZ.dat b/static/data/abs/cclf_FCI_aug-cc-pVTZ.dat index 7a38b4a6..270b7162 100644 --- a/static/data/abs/cclf_FCI_aug-cc-pVTZ.dat +++ b/static/data/abs/cclf_FCI_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : FCI,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/cclf_SCS-CC2 [TM]_aug-cc-pVTZ.dat index 79ff2301..06ccfd2b 100644 --- a/static/data/abs/cclf_SCS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/cclf_SCS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SCS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/cclf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat index 702a093c..1c8476e1 100644 --- a/static/data/abs/cclf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat +++ b/static/data/abs/cclf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [QM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/cclf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat index 94e463c7..9054892f 100644 --- a/static/data/abs/cclf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/cclf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/cclf_SOS-CC2 [TM]_aug-cc-pVTZ.dat index f2b1b7ee..73f6848e 100644 --- a/static/data/abs/cclf_SOS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/cclf_SOS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/cclf_STEOM-CCSD_aug-cc-pVTZ.dat index f1ba82dc..e6369c96 100644 --- a/static/data/abs/cclf_STEOM-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/cclf_STEOM-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : STEOM-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/cclf_TBE(FC)_aug-cc-pVTZ.dat index c7eac306..4c9824e0 100644 --- a/static/data/abs/cclf_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/cclf_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cclf_TBE_CBS.dat b/static/data/abs/cclf_TBE_CBS.dat index 3a3209f8..550b78b4 100644 --- a/static/data/abs/cclf_TBE_CBS.dat +++ b/static/data/abs/cclf_TBE_CBS.dat @@ -3,7 +3,7 @@ # code : # method : TBE,CBS # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/cf2_ADC(2)_aug-cc-pVTZ.dat index 8ec33f5e..a964f147 100644 --- a/static/data/abs/cf2_ADC(2)_aug-cc-pVTZ.dat +++ b/static/data/abs/cf2_ADC(2)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/cf2_ADC(2.5)_aug-cc-pVTZ.dat index 0aca2b53..27ab705d 100644 --- a/static/data/abs/cf2_ADC(2.5)_aug-cc-pVTZ.dat +++ b/static/data/abs/cf2_ADC(2.5)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2.5),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/cf2_ADC(3)_aug-cc-pVTZ.dat index ba4ddc37..46ff4443 100644 --- a/static/data/abs/cf2_ADC(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/cf2_ADC(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_CC2_aug-cc-pVTZ.dat b/static/data/abs/cf2_CC2_aug-cc-pVTZ.dat index fb274719..d35b82d5 100644 --- a/static/data/abs/cf2_CC2_aug-cc-pVTZ.dat +++ b/static/data/abs/cf2_CC2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_CC3(FC)_6-31+G(d).dat b/static/data/abs/cf2_CC3(FC)_6-31+G(d).dat index 1d52bd38..bec5b534 100644 --- a/static/data/abs/cf2_CC3(FC)_6-31+G(d).dat +++ b/static/data/abs/cf2_CC3(FC)_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_CC3(FC)_aug-cc-pV5Z.dat b/static/data/abs/cf2_CC3(FC)_aug-cc-pV5Z.dat index c42a19e3..ee1616e4 100644 --- a/static/data/abs/cf2_CC3(FC)_aug-cc-pV5Z.dat +++ b/static/data/abs/cf2_CC3(FC)_aug-cc-pV5Z.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pV5Z # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/cf2_CC3(FC)_aug-cc-pVDZ.dat index 1a3ad0b2..fc4e3e68 100644 --- a/static/data/abs/cf2_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/cf2_CC3(FC)_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/cf2_CC3(FC)_aug-cc-pVQZ.dat index 3fcf4687..06f88450 100644 --- a/static/data/abs/cf2_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/cf2_CC3(FC)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/cf2_CC3(FC)_aug-cc-pVTZ.dat index 660b3294..8de837c5 100644 --- a/static/data/abs/cf2_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/cf2_CC3(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/cf2_CC3(Full)_aug-cc-pCVQZ.dat index 5c38e772..9426d756 100644 --- a/static/data/abs/cf2_CC3(Full)_aug-cc-pCVQZ.dat +++ b/static/data/abs/cf2_CC3(Full)_aug-cc-pCVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(Full),aug-cc-pCVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/cf2_CC3(Full)_aug-cc-pVQZ.dat index 654929a7..90ec66a4 100644 --- a/static/data/abs/cf2_CC3(Full)_aug-cc-pVQZ.dat +++ b/static/data/abs/cf2_CC3(Full)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(Full),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_CC3_6-31+G(d).dat b/static/data/abs/cf2_CC3_6-31+G(d).dat index 40c1b984..138d8264 100644 --- a/static/data/abs/cf2_CC3_6-31+G(d).dat +++ b/static/data/abs/cf2_CC3_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_CC3_aug-cc-pVDZ.dat b/static/data/abs/cf2_CC3_aug-cc-pVDZ.dat index c1713e82..42e4a3ae 100644 --- a/static/data/abs/cf2_CC3_aug-cc-pVDZ.dat +++ b/static/data/abs/cf2_CC3_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_CC3_aug-cc-pVTZ.dat b/static/data/abs/cf2_CC3_aug-cc-pVTZ.dat index 06507f5b..5312cb8d 100644 --- a/static/data/abs/cf2_CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/cf2_CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/cf2_CCSDR(3)_aug-cc-pVTZ.dat index 78cb834e..5b126056 100644 --- a/static/data/abs/cf2_CCSDR(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/cf2_CCSDR(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDR(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cf2_CCSDT-3_aug-cc-pVTZ.dat index 77ca7c4d..5e337ae2 100644 --- a/static/data/abs/cf2_CCSDT-3_aug-cc-pVTZ.dat +++ b/static/data/abs/cf2_CCSDT-3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT-3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_CCSDTQ_6-31+G(d).dat b/static/data/abs/cf2_CCSDTQ_6-31+G(d).dat index 83331151..f108ed61 100644 --- a/static/data/abs/cf2_CCSDTQ_6-31+G(d).dat +++ b/static/data/abs/cf2_CCSDTQ_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQ,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/cf2_CCSDTQ_aug-cc-pVDZ.dat index 68cfb472..4193dbd6 100644 --- a/static/data/abs/cf2_CCSDTQ_aug-cc-pVDZ.dat +++ b/static/data/abs/cf2_CCSDTQ_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQ,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_CCSDT_6-31+G(d).dat b/static/data/abs/cf2_CCSDT_6-31+G(d).dat index 4991e7a5..4dd75835 100644 --- a/static/data/abs/cf2_CCSDT_6-31+G(d).dat +++ b/static/data/abs/cf2_CCSDT_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/cf2_CCSDT_aug-cc-pVDZ.dat index baf7f7f2..292142b7 100644 --- a/static/data/abs/cf2_CCSDT_aug-cc-pVDZ.dat +++ b/static/data/abs/cf2_CCSDT_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/cf2_CCSDT_aug-cc-pVTZ.dat index a97821b5..20c88662 100644 --- a/static/data/abs/cf2_CCSDT_aug-cc-pVTZ.dat +++ b/static/data/abs/cf2_CCSDT_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_CCSD_aug-cc-pVTZ.dat b/static/data/abs/cf2_CCSD_aug-cc-pVTZ.dat index 613ded83..1cd4814d 100644 --- a/static/data/abs/cf2_CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/cf2_CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/cf2_CIS(D)_aug-cc-pVTZ.dat index 45045dd0..1a52547b 100644 --- a/static/data/abs/cf2_CIS(D)_aug-cc-pVTZ.dat +++ b/static/data/abs/cf2_CIS(D)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CIS(D),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/cf2_EOM-MP2_aug-cc-pVTZ.dat index 42e1f5b5..fb16840b 100644 --- a/static/data/abs/cf2_EOM-MP2_aug-cc-pVTZ.dat +++ b/static/data/abs/cf2_EOM-MP2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : EOM-MP2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_FCI_aug-cc-pVDZ.dat b/static/data/abs/cf2_FCI_aug-cc-pVDZ.dat index f0af0a87..323009ee 100644 --- a/static/data/abs/cf2_FCI_aug-cc-pVDZ.dat +++ b/static/data/abs/cf2_FCI_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : FCI,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_FCI_aug-cc-pVTZ.dat b/static/data/abs/cf2_FCI_aug-cc-pVTZ.dat index 182e65db..f9b863a9 100644 --- a/static/data/abs/cf2_FCI_aug-cc-pVTZ.dat +++ b/static/data/abs/cf2_FCI_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : FCI,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/cf2_SCS-CC2 [TM]_aug-cc-pVTZ.dat index 18aaeee9..c26f1eaf 100644 --- a/static/data/abs/cf2_SCS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/cf2_SCS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SCS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/cf2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat index e8f995e7..76370023 100644 --- a/static/data/abs/cf2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat +++ b/static/data/abs/cf2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [QM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/cf2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat index 57bf28b8..1d0921a8 100644 --- a/static/data/abs/cf2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/cf2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/cf2_SOS-CC2 [TM]_aug-cc-pVTZ.dat index 2068cb59..7408c380 100644 --- a/static/data/abs/cf2_SOS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/cf2_SOS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/cf2_STEOM-CCSD_aug-cc-pVTZ.dat index 41bbf63e..e6d35631 100644 --- a/static/data/abs/cf2_STEOM-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/cf2_STEOM-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : STEOM-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/cf2_TBE(FC)_aug-cc-pVTZ.dat index 7b20bcbe..d38c71d3 100644 --- a/static/data/abs/cf2_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/cf2_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cf2_TBE_CBS.dat b/static/data/abs/cf2_TBE_CBS.dat index 4008c32b..1157cdef 100644 --- a/static/data/abs/cf2_TBE_CBS.dat +++ b/static/data/abs/cf2_TBE_CBS.dat @@ -3,7 +3,7 @@ # code : # method : TBE,CBS # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ch3_RO-CC3_aug-cc-pVTZ.dat b/static/data/abs/ch3_RO-CC3_aug-cc-pVTZ.dat index ad3f4de6..715317d5 100644 --- a/static/data/abs/ch3_RO-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/ch3_RO-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ch3_RO-CCSD_aug-cc-pVTZ.dat b/static/data/abs/ch3_RO-CCSD_aug-cc-pVTZ.dat index d7b2e848..14aeff78 100644 --- a/static/data/abs/ch3_RO-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/ch3_RO-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ch3_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/ch3_TBE(FC)_aug-cc-pVTZ.dat index 04c78ee6..6b68ca26 100644 --- a/static/data/abs/ch3_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/ch3_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ch3_U-CC3_aug-cc-pVTZ.dat b/static/data/abs/ch3_U-CC3_aug-cc-pVTZ.dat index 45668f19..6768861b 100644 --- a/static/data/abs/ch3_U-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/ch3_U-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ch3_U-CCSD_aug-cc-pVTZ.dat b/static/data/abs/ch3_U-CCSD_aug-cc-pVTZ.dat index e5f9a44e..ce383b5f 100644 --- a/static/data/abs/ch3_U-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/ch3_U-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ch_RO-CC3_aug-cc-pVTZ.dat b/static/data/abs/ch_RO-CC3_aug-cc-pVTZ.dat index fc08bc3c..49b317b4 100644 --- a/static/data/abs/ch_RO-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/ch_RO-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ch_RO-CCSD_aug-cc-pVTZ.dat b/static/data/abs/ch_RO-CCSD_aug-cc-pVTZ.dat index 8cb52de0..a1f4cbb9 100644 --- a/static/data/abs/ch_RO-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/ch_RO-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ch_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/ch_TBE(FC)_aug-cc-pVTZ.dat index 6e63eecc..9550a7e9 100644 --- a/static/data/abs/ch_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/ch_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ch_U-CC3_aug-cc-pVTZ.dat b/static/data/abs/ch_U-CC3_aug-cc-pVTZ.dat index d9a56202..27fed390 100644 --- a/static/data/abs/ch_U-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/ch_U-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ch_U-CCSD_aug-cc-pVTZ.dat b/static/data/abs/ch_U-CCSD_aug-cc-pVTZ.dat index 72fc3e69..d8fb619f 100644 --- a/static/data/abs/ch_U-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/ch_U-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cn_RO-CC3_aug-cc-pVTZ.dat b/static/data/abs/cn_RO-CC3_aug-cc-pVTZ.dat index c202d49d..4c5f19e6 100644 --- a/static/data/abs/cn_RO-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/cn_RO-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cn_RO-CCSD_aug-cc-pVTZ.dat b/static/data/abs/cn_RO-CCSD_aug-cc-pVTZ.dat index b736706c..c5292aa6 100644 --- a/static/data/abs/cn_RO-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/cn_RO-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cn_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/cn_TBE(FC)_aug-cc-pVTZ.dat index 3d44d321..0a16d4bc 100644 --- a/static/data/abs/cn_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/cn_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cn_U-CC3_aug-cc-pVTZ.dat b/static/data/abs/cn_U-CC3_aug-cc-pVTZ.dat index f37443c1..ae579df8 100644 --- a/static/data/abs/cn_U-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/cn_U-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cn_U-CCSD_aug-cc-pVTZ.dat b/static/data/abs/cn_U-CCSD_aug-cc-pVTZ.dat index a31779ed..b12ed602 100644 --- a/static/data/abs/cn_U-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/cn_U-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cno_RO-CC3_aug-cc-pVTZ.dat b/static/data/abs/cno_RO-CC3_aug-cc-pVTZ.dat index c4a3724c..20c83028 100644 --- a/static/data/abs/cno_RO-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/cno_RO-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cno_RO-CCSD_aug-cc-pVTZ.dat b/static/data/abs/cno_RO-CCSD_aug-cc-pVTZ.dat index 89c01903..769b89cc 100644 --- a/static/data/abs/cno_RO-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/cno_RO-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cno_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/cno_TBE(FC)_aug-cc-pVTZ.dat index be822473..6d649b1e 100644 --- a/static/data/abs/cno_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/cno_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cno_U-CC3_aug-cc-pVTZ.dat b/static/data/abs/cno_U-CC3_aug-cc-pVTZ.dat index 5f5ab401..e96f89e4 100644 --- a/static/data/abs/cno_U-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/cno_U-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cno_U-CCSD_aug-cc-pVTZ.dat b/static/data/abs/cno_U-CCSD_aug-cc-pVTZ.dat index a90a2429..ee7595af 100644 --- a/static/data/abs/cno_U-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/cno_U-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/co+_RO-CC3_aug-cc-pVTZ.dat b/static/data/abs/co+_RO-CC3_aug-cc-pVTZ.dat index baba9db1..4df0f1e0 100644 --- a/static/data/abs/co+_RO-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/co+_RO-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/co+_RO-CCSD_aug-cc-pVTZ.dat b/static/data/abs/co+_RO-CCSD_aug-cc-pVTZ.dat index 2f2156fd..ffdc8251 100644 --- a/static/data/abs/co+_RO-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/co+_RO-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/co+_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/co+_TBE(FC)_aug-cc-pVTZ.dat index 3fe4b3a3..9de74b85 100644 --- a/static/data/abs/co+_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/co+_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/co+_U-CC3_aug-cc-pVTZ.dat b/static/data/abs/co+_U-CC3_aug-cc-pVTZ.dat index b6cc4d2d..1961d18b 100644 --- a/static/data/abs/co+_U-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/co+_U-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/co+_U-CCSD_aug-cc-pVTZ.dat b/static/data/abs/co+_U-CCSD_aug-cc-pVTZ.dat index a43be4d7..f85dc1b1 100644 --- a/static/data/abs/co+_U-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/co+_U-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/difluorodiazirine_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_ADC(2)_aug-cc-pVTZ.dat index af854b32..aaa78733 100644 --- a/static/data/abs/difluorodiazirine_ADC(2)_aug-cc-pVTZ.dat +++ b/static/data/abs/difluorodiazirine_ADC(2)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/difluorodiazirine_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_ADC(2.5)_aug-cc-pVTZ.dat index 72c36816..010c4542 100644 --- a/static/data/abs/difluorodiazirine_ADC(2.5)_aug-cc-pVTZ.dat +++ b/static/data/abs/difluorodiazirine_ADC(2.5)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2.5),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/difluorodiazirine_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_ADC(3)_aug-cc-pVTZ.dat index a57c2cce..fe1d0820 100644 --- a/static/data/abs/difluorodiazirine_ADC(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/difluorodiazirine_ADC(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/difluorodiazirine_CC2_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_CC2_aug-cc-pVTZ.dat index 56ee5179..2a795c7e 100644 --- a/static/data/abs/difluorodiazirine_CC2_aug-cc-pVTZ.dat +++ b/static/data/abs/difluorodiazirine_CC2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/difluorodiazirine_CC3(FC)_6-31+G(d).dat b/static/data/abs/difluorodiazirine_CC3(FC)_6-31+G(d).dat index 7e3dfc03..8cb594a9 100644 --- a/static/data/abs/difluorodiazirine_CC3(FC)_6-31+G(d).dat +++ b/static/data/abs/difluorodiazirine_CC3(FC)_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/difluorodiazirine_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/difluorodiazirine_CC3(FC)_aug-cc-pVDZ.dat index faba12d4..42ae1d2f 100644 --- a/static/data/abs/difluorodiazirine_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/difluorodiazirine_CC3(FC)_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/difluorodiazirine_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/difluorodiazirine_CC3(FC)_aug-cc-pVQZ.dat index a2592f4b..369192da 100644 --- a/static/data/abs/difluorodiazirine_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/difluorodiazirine_CC3(FC)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/difluorodiazirine_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_CC3(FC)_aug-cc-pVTZ.dat index 65ccdc58..a81d0a5a 100644 --- a/static/data/abs/difluorodiazirine_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/difluorodiazirine_CC3(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/difluorodiazirine_CC3_6-31+G(d).dat b/static/data/abs/difluorodiazirine_CC3_6-31+G(d).dat index 7e48337a..f99a6c6e 100644 --- a/static/data/abs/difluorodiazirine_CC3_6-31+G(d).dat +++ b/static/data/abs/difluorodiazirine_CC3_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/difluorodiazirine_CC3_aug-cc-pVDZ.dat b/static/data/abs/difluorodiazirine_CC3_aug-cc-pVDZ.dat index d87aaa00..f4cd63ba 100644 --- a/static/data/abs/difluorodiazirine_CC3_aug-cc-pVDZ.dat +++ b/static/data/abs/difluorodiazirine_CC3_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/difluorodiazirine_CC3_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_CC3_aug-cc-pVTZ.dat index 27e4d6ab..c3d90ee4 100644 --- a/static/data/abs/difluorodiazirine_CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/difluorodiazirine_CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/difluorodiazirine_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_CCSDR(3)_aug-cc-pVTZ.dat index 3bdc0d24..907f518c 100644 --- a/static/data/abs/difluorodiazirine_CCSDR(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/difluorodiazirine_CCSDR(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDR(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/difluorodiazirine_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_CCSDT-3_aug-cc-pVTZ.dat index 6050a5c0..ed4433f7 100644 --- a/static/data/abs/difluorodiazirine_CCSDT-3_aug-cc-pVTZ.dat +++ b/static/data/abs/difluorodiazirine_CCSDT-3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT-3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/difluorodiazirine_CCSDT_6-31+G(d).dat b/static/data/abs/difluorodiazirine_CCSDT_6-31+G(d).dat index 26b7b2bd..3d5ece72 100644 --- a/static/data/abs/difluorodiazirine_CCSDT_6-31+G(d).dat +++ b/static/data/abs/difluorodiazirine_CCSDT_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/difluorodiazirine_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/difluorodiazirine_CCSDT_aug-cc-pVDZ.dat index dc08e587..201de3bc 100644 --- a/static/data/abs/difluorodiazirine_CCSDT_aug-cc-pVDZ.dat +++ b/static/data/abs/difluorodiazirine_CCSDT_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/difluorodiazirine_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_CCSDT_aug-cc-pVTZ.dat index 734a497d..2ca3b1fb 100644 --- a/static/data/abs/difluorodiazirine_CCSDT_aug-cc-pVTZ.dat +++ b/static/data/abs/difluorodiazirine_CCSDT_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/difluorodiazirine_CCSD_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_CCSD_aug-cc-pVTZ.dat index c748c80b..2126a5c0 100644 --- a/static/data/abs/difluorodiazirine_CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/difluorodiazirine_CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/difluorodiazirine_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_CIS(D)_aug-cc-pVTZ.dat index e1b50e84..b0c49ed0 100644 --- a/static/data/abs/difluorodiazirine_CIS(D)_aug-cc-pVTZ.dat +++ b/static/data/abs/difluorodiazirine_CIS(D)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CIS(D),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/difluorodiazirine_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_EOM-MP2_aug-cc-pVTZ.dat index 2780193c..157bb193 100644 --- a/static/data/abs/difluorodiazirine_EOM-MP2_aug-cc-pVTZ.dat +++ b/static/data/abs/difluorodiazirine_EOM-MP2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : EOM-MP2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/difluorodiazirine_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_SCS-CC2 [TM]_aug-cc-pVTZ.dat index 5bd542ce..c6e83760 100644 --- a/static/data/abs/difluorodiazirine_SCS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/difluorodiazirine_SCS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SCS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/difluorodiazirine_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat index 2314fb33..7c21e652 100644 --- a/static/data/abs/difluorodiazirine_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat +++ b/static/data/abs/difluorodiazirine_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [QM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/difluorodiazirine_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat index 5d37a4d4..e53dd8dc 100644 --- a/static/data/abs/difluorodiazirine_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/difluorodiazirine_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/difluorodiazirine_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_SOS-CC2 [TM]_aug-cc-pVTZ.dat index 1a8879cc..b11e29ea 100644 --- a/static/data/abs/difluorodiazirine_SOS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/difluorodiazirine_SOS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/difluorodiazirine_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_STEOM-CCSD_aug-cc-pVTZ.dat index 16cca805..61532a91 100644 --- a/static/data/abs/difluorodiazirine_STEOM-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/difluorodiazirine_STEOM-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : STEOM-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/difluorodiazirine_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_TBE(FC)_aug-cc-pVTZ.dat index 0f372fd9..13cf1a7a 100644 --- a/static/data/abs/difluorodiazirine_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/difluorodiazirine_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/difluorodiazirine_TBE_CBS.dat b/static/data/abs/difluorodiazirine_TBE_CBS.dat index c91c3e4e..079366e2 100644 --- a/static/data/abs/difluorodiazirine_TBE_CBS.dat +++ b/static/data/abs/difluorodiazirine_TBE_CBS.dat @@ -3,7 +3,7 @@ # code : # method : TBE,CBS # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/f2bo_RO-CC3_aug-cc-pVTZ.dat b/static/data/abs/f2bo_RO-CC3_aug-cc-pVTZ.dat index da7ae14f..79bb5cc8 100644 --- a/static/data/abs/f2bo_RO-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/f2bo_RO-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/f2bo_RO-CCSD_aug-cc-pVTZ.dat b/static/data/abs/f2bo_RO-CCSD_aug-cc-pVTZ.dat index 877b0c0c..6bade7f4 100644 --- a/static/data/abs/f2bo_RO-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/f2bo_RO-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/f2bo_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/f2bo_TBE(FC)_aug-cc-pVTZ.dat index 312da8d6..b133db6a 100644 --- a/static/data/abs/f2bo_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/f2bo_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/f2bo_U-CC3_aug-cc-pVTZ.dat b/static/data/abs/f2bo_U-CC3_aug-cc-pVTZ.dat index 4a64ae92..f8c15ffb 100644 --- a/static/data/abs/f2bo_U-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/f2bo_U-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/f2bo_U-CCSD_aug-cc-pVTZ.dat b/static/data/abs/f2bo_U-CCSD_aug-cc-pVTZ.dat index dadbb9cf..b36d4d9f 100644 --- a/static/data/abs/f2bo_U-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/f2bo_U-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/f2bs_RO-CC3_aug-cc-pVTZ.dat b/static/data/abs/f2bs_RO-CC3_aug-cc-pVTZ.dat index de0438da..ec272e3d 100644 --- a/static/data/abs/f2bs_RO-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/f2bs_RO-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/f2bs_RO-CCSD_aug-cc-pVTZ.dat b/static/data/abs/f2bs_RO-CCSD_aug-cc-pVTZ.dat index 31f94c2d..713ed208 100644 --- a/static/data/abs/f2bs_RO-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/f2bs_RO-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/f2bs_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/f2bs_TBE(FC)_aug-cc-pVTZ.dat index c5e7a20c..611f61ad 100644 --- a/static/data/abs/f2bs_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/f2bs_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/f2bs_U-CC3_aug-cc-pVTZ.dat b/static/data/abs/f2bs_U-CC3_aug-cc-pVTZ.dat index dd078a74..84aebe8d 100644 --- a/static/data/abs/f2bs_U-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/f2bs_U-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/f2bs_U-CCSD_aug-cc-pVTZ.dat b/static/data/abs/f2bs_U-CCSD_aug-cc-pVTZ.dat index dafe4bbf..19cc1b46 100644 --- a/static/data/abs/f2bs_U-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/f2bs_U-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_ADC(2)_aug-cc-pVTZ.dat index 598b470c..8d1e8597 100644 --- a/static/data/abs/formylfluoride_ADC(2)_aug-cc-pVTZ.dat +++ b/static/data/abs/formylfluoride_ADC(2)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_ADC(2.5)_aug-cc-pVTZ.dat index 3d8596ad..0c323501 100644 --- a/static/data/abs/formylfluoride_ADC(2.5)_aug-cc-pVTZ.dat +++ b/static/data/abs/formylfluoride_ADC(2.5)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2.5),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_ADC(3)_aug-cc-pVTZ.dat index d73730cd..9d5f074a 100644 --- a/static/data/abs/formylfluoride_ADC(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/formylfluoride_ADC(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_CC2_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_CC2_aug-cc-pVTZ.dat index 9e2b138a..6b724ae6 100644 --- a/static/data/abs/formylfluoride_CC2_aug-cc-pVTZ.dat +++ b/static/data/abs/formylfluoride_CC2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_CC3(FC)_6-31+G(d).dat b/static/data/abs/formylfluoride_CC3(FC)_6-31+G(d).dat index 22bb5ee1..c8a0122e 100644 --- a/static/data/abs/formylfluoride_CC3(FC)_6-31+G(d).dat +++ b/static/data/abs/formylfluoride_CC3(FC)_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_CC3(FC)_aug-cc-pV5Z.dat b/static/data/abs/formylfluoride_CC3(FC)_aug-cc-pV5Z.dat index aaf20158..94507d20 100644 --- a/static/data/abs/formylfluoride_CC3(FC)_aug-cc-pV5Z.dat +++ b/static/data/abs/formylfluoride_CC3(FC)_aug-cc-pV5Z.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pV5Z # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/formylfluoride_CC3(FC)_aug-cc-pVDZ.dat index 6d3b7631..e0b81e8a 100644 --- a/static/data/abs/formylfluoride_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/formylfluoride_CC3(FC)_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/formylfluoride_CC3(FC)_aug-cc-pVQZ.dat index 307b5f78..a1009946 100644 --- a/static/data/abs/formylfluoride_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/formylfluoride_CC3(FC)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_CC3(FC)_aug-cc-pVTZ.dat index a97cc64e..d3eca6f6 100644 --- a/static/data/abs/formylfluoride_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/formylfluoride_CC3(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/formylfluoride_CC3(Full)_aug-cc-pCVQZ.dat index 23848ff6..a8fa88ea 100644 --- a/static/data/abs/formylfluoride_CC3(Full)_aug-cc-pCVQZ.dat +++ b/static/data/abs/formylfluoride_CC3(Full)_aug-cc-pCVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(Full),aug-cc-pCVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/formylfluoride_CC3(Full)_aug-cc-pVQZ.dat index 678edbb8..05e6570b 100644 --- a/static/data/abs/formylfluoride_CC3(Full)_aug-cc-pVQZ.dat +++ b/static/data/abs/formylfluoride_CC3(Full)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(Full),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_CC3_6-31+G(d).dat b/static/data/abs/formylfluoride_CC3_6-31+G(d).dat index 451c3a0c..713cad72 100644 --- a/static/data/abs/formylfluoride_CC3_6-31+G(d).dat +++ b/static/data/abs/formylfluoride_CC3_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_CC3_aug-cc-pVDZ.dat b/static/data/abs/formylfluoride_CC3_aug-cc-pVDZ.dat index 99c6a690..99e43c39 100644 --- a/static/data/abs/formylfluoride_CC3_aug-cc-pVDZ.dat +++ b/static/data/abs/formylfluoride_CC3_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_CC3_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_CC3_aug-cc-pVTZ.dat index 1e08129b..5c17f71e 100644 --- a/static/data/abs/formylfluoride_CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/formylfluoride_CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_CCSDR(3)_aug-cc-pVTZ.dat index 89c0c8c4..d081e6e4 100644 --- a/static/data/abs/formylfluoride_CCSDR(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/formylfluoride_CCSDR(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDR(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_CCSDT-3_aug-cc-pVTZ.dat index e2f7aed0..bf7dbe5b 100644 --- a/static/data/abs/formylfluoride_CCSDT-3_aug-cc-pVTZ.dat +++ b/static/data/abs/formylfluoride_CCSDT-3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT-3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_CCSDTQ_6-31+G(d).dat b/static/data/abs/formylfluoride_CCSDTQ_6-31+G(d).dat index 4f9d9a4a..fa4dad59 100644 --- a/static/data/abs/formylfluoride_CCSDTQ_6-31+G(d).dat +++ b/static/data/abs/formylfluoride_CCSDTQ_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQ,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_CCSDT_6-31+G(d).dat b/static/data/abs/formylfluoride_CCSDT_6-31+G(d).dat index 3999d271..0cd44f2c 100644 --- a/static/data/abs/formylfluoride_CCSDT_6-31+G(d).dat +++ b/static/data/abs/formylfluoride_CCSDT_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/formylfluoride_CCSDT_aug-cc-pVDZ.dat index c972c90d..d08d10a2 100644 --- a/static/data/abs/formylfluoride_CCSDT_aug-cc-pVDZ.dat +++ b/static/data/abs/formylfluoride_CCSDT_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_CCSDT_aug-cc-pVTZ.dat index 25fd62c3..1cf50737 100644 --- a/static/data/abs/formylfluoride_CCSDT_aug-cc-pVTZ.dat +++ b/static/data/abs/formylfluoride_CCSDT_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_CCSD_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_CCSD_aug-cc-pVTZ.dat index d33d89b7..47ddc1fe 100644 --- a/static/data/abs/formylfluoride_CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/formylfluoride_CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_CIS(D)_aug-cc-pVTZ.dat index 171d3a70..fd7bbc37 100644 --- a/static/data/abs/formylfluoride_CIS(D)_aug-cc-pVTZ.dat +++ b/static/data/abs/formylfluoride_CIS(D)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CIS(D),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_EOM-MP2_aug-cc-pVTZ.dat index 066112e7..c5a62404 100644 --- a/static/data/abs/formylfluoride_EOM-MP2_aug-cc-pVTZ.dat +++ b/static/data/abs/formylfluoride_EOM-MP2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : EOM-MP2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_FCI_aug-cc-pVDZ.dat b/static/data/abs/formylfluoride_FCI_aug-cc-pVDZ.dat index 56b1d077..577c49ed 100644 --- a/static/data/abs/formylfluoride_FCI_aug-cc-pVDZ.dat +++ b/static/data/abs/formylfluoride_FCI_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : FCI,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat index e43f32f1..36ed3c43 100644 --- a/static/data/abs/formylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/formylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SCS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat index 4a33ab4c..0d2c0861 100644 --- a/static/data/abs/formylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat +++ b/static/data/abs/formylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [QM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat index 0c46765a..839c6d6b 100644 --- a/static/data/abs/formylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/formylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat index 56b46c46..bb552e33 100644 --- a/static/data/abs/formylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/formylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat index 0a6e472a..5d79dba3 100644 --- a/static/data/abs/formylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/formylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : STEOM-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_TBE(FC)_aug-cc-pVTZ.dat index fe525870..331a6cf6 100644 --- a/static/data/abs/formylfluoride_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/formylfluoride_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/formylfluoride_TBE_CBS.dat b/static/data/abs/formylfluoride_TBE_CBS.dat index fb34452a..aa2a04f0 100644 --- a/static/data/abs/formylfluoride_TBE_CBS.dat +++ b/static/data/abs/formylfluoride_TBE_CBS.dat @@ -3,7 +3,7 @@ # code : # method : TBE,CBS # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/h2bo_RO-CC3_aug-cc-pVTZ.dat b/static/data/abs/h2bo_RO-CC3_aug-cc-pVTZ.dat index a0c72525..4e1adcea 100644 --- a/static/data/abs/h2bo_RO-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/h2bo_RO-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/h2bo_RO-CCSD_aug-cc-pVTZ.dat b/static/data/abs/h2bo_RO-CCSD_aug-cc-pVTZ.dat index 23f1e3ae..4d8e05ce 100644 --- a/static/data/abs/h2bo_RO-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/h2bo_RO-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/h2bo_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/h2bo_TBE(FC)_aug-cc-pVTZ.dat index ae0f6c98..fc6e9f5e 100644 --- a/static/data/abs/h2bo_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/h2bo_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/h2bo_U-CC3_aug-cc-pVTZ.dat b/static/data/abs/h2bo_U-CC3_aug-cc-pVTZ.dat index 4b736d09..b9b05901 100644 --- a/static/data/abs/h2bo_U-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/h2bo_U-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/h2bo_U-CCSD_aug-cc-pVTZ.dat b/static/data/abs/h2bo_U-CCSD_aug-cc-pVTZ.dat index 64ea1b32..4f9bc97a 100644 --- a/static/data/abs/h2bo_U-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/h2bo_U-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/h2po_RO-CC3_aug-cc-pVTZ.dat b/static/data/abs/h2po_RO-CC3_aug-cc-pVTZ.dat index 6b1822b3..1afbedea 100644 --- a/static/data/abs/h2po_RO-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/h2po_RO-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/h2po_RO-CCSD_aug-cc-pVTZ.dat b/static/data/abs/h2po_RO-CCSD_aug-cc-pVTZ.dat index 11f8e029..b5a86c9a 100644 --- a/static/data/abs/h2po_RO-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/h2po_RO-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/h2po_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/h2po_TBE(FC)_aug-cc-pVTZ.dat index ded3441b..f32db361 100644 --- a/static/data/abs/h2po_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/h2po_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/h2po_U-CC3_aug-cc-pVTZ.dat b/static/data/abs/h2po_U-CC3_aug-cc-pVTZ.dat index 868d8e2b..d301e2b8 100644 --- a/static/data/abs/h2po_U-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/h2po_U-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/h2po_U-CCSD_aug-cc-pVTZ.dat b/static/data/abs/h2po_U-CCSD_aug-cc-pVTZ.dat index 2cbcfb3f..a99b3f15 100644 --- a/static/data/abs/h2po_U-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/h2po_U-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/h2ps_RO-CC3_aug-cc-pVTZ.dat b/static/data/abs/h2ps_RO-CC3_aug-cc-pVTZ.dat index f34cacfe..5c7f2881 100644 --- a/static/data/abs/h2ps_RO-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/h2ps_RO-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/h2ps_RO-CCSD_aug-cc-pVTZ.dat b/static/data/abs/h2ps_RO-CCSD_aug-cc-pVTZ.dat index c9934e0d..06c9caed 100644 --- a/static/data/abs/h2ps_RO-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/h2ps_RO-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/h2ps_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/h2ps_TBE(FC)_aug-cc-pVTZ.dat index cb78ab5e..54d0f723 100644 --- a/static/data/abs/h2ps_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/h2ps_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/h2ps_U-CC3_aug-cc-pVTZ.dat b/static/data/abs/h2ps_U-CC3_aug-cc-pVTZ.dat index e27c13df..bd4e8503 100644 --- a/static/data/abs/h2ps_U-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/h2ps_U-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/h2ps_U-CCSD_aug-cc-pVTZ.dat b/static/data/abs/h2ps_U-CCSD_aug-cc-pVTZ.dat index 685f18ca..fb822a8c 100644 --- a/static/data/abs/h2ps_U-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/h2ps_U-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/hccl_ADC(2)_aug-cc-pVTZ.dat index 383e8fb4..a921d6df 100644 --- a/static/data/abs/hccl_ADC(2)_aug-cc-pVTZ.dat +++ b/static/data/abs/hccl_ADC(2)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/hccl_ADC(2.5)_aug-cc-pVTZ.dat index 7563fa67..0672a526 100644 --- a/static/data/abs/hccl_ADC(2.5)_aug-cc-pVTZ.dat +++ b/static/data/abs/hccl_ADC(2.5)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2.5),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/hccl_ADC(3)_aug-cc-pVTZ.dat index 6076d848..72e42458 100644 --- a/static/data/abs/hccl_ADC(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/hccl_ADC(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_CC2_aug-cc-pVTZ.dat b/static/data/abs/hccl_CC2_aug-cc-pVTZ.dat index 05a385b0..ce819b2b 100644 --- a/static/data/abs/hccl_CC2_aug-cc-pVTZ.dat +++ b/static/data/abs/hccl_CC2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_CC3(FC)_6-31+G(d).dat b/static/data/abs/hccl_CC3(FC)_6-31+G(d).dat index 08b0f023..db80620f 100644 --- a/static/data/abs/hccl_CC3(FC)_6-31+G(d).dat +++ b/static/data/abs/hccl_CC3(FC)_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_CC3(FC)_aug-cc-pV5Z.dat b/static/data/abs/hccl_CC3(FC)_aug-cc-pV5Z.dat index 659d4db3..3733075c 100644 --- a/static/data/abs/hccl_CC3(FC)_aug-cc-pV5Z.dat +++ b/static/data/abs/hccl_CC3(FC)_aug-cc-pV5Z.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pV5Z # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/hccl_CC3(FC)_aug-cc-pVDZ.dat index 883b6f2e..3dc9f638 100644 --- a/static/data/abs/hccl_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/hccl_CC3(FC)_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/hccl_CC3(FC)_aug-cc-pVQZ.dat index 35bb1a3d..57d7837d 100644 --- a/static/data/abs/hccl_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/hccl_CC3(FC)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/hccl_CC3(FC)_aug-cc-pVTZ.dat index ca059ef2..f84b1ada 100644 --- a/static/data/abs/hccl_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/hccl_CC3(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/hccl_CC3(Full)_aug-cc-pCVQZ.dat index e3257712..511623ea 100644 --- a/static/data/abs/hccl_CC3(Full)_aug-cc-pCVQZ.dat +++ b/static/data/abs/hccl_CC3(Full)_aug-cc-pCVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(Full),aug-cc-pCVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/hccl_CC3(Full)_aug-cc-pVQZ.dat index 87a2fc7a..531a7248 100644 --- a/static/data/abs/hccl_CC3(Full)_aug-cc-pVQZ.dat +++ b/static/data/abs/hccl_CC3(Full)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(Full),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_CC3(SC)_aug-cc-pVQZ.dat b/static/data/abs/hccl_CC3(SC)_aug-cc-pVQZ.dat index c1e98fb1..03d2e7cd 100644 --- a/static/data/abs/hccl_CC3(SC)_aug-cc-pVQZ.dat +++ b/static/data/abs/hccl_CC3(SC)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(SC),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_CC3_6-31+G(d).dat b/static/data/abs/hccl_CC3_6-31+G(d).dat index 378a8c93..b163b80e 100644 --- a/static/data/abs/hccl_CC3_6-31+G(d).dat +++ b/static/data/abs/hccl_CC3_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_CC3_aug-cc-pVDZ.dat b/static/data/abs/hccl_CC3_aug-cc-pVDZ.dat index a329b88f..2409664a 100644 --- a/static/data/abs/hccl_CC3_aug-cc-pVDZ.dat +++ b/static/data/abs/hccl_CC3_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_CC3_aug-cc-pVTZ.dat b/static/data/abs/hccl_CC3_aug-cc-pVTZ.dat index d89957be..8e81135a 100644 --- a/static/data/abs/hccl_CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/hccl_CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/hccl_CCSDR(3)_aug-cc-pVTZ.dat index 0158e31d..fafcae0b 100644 --- a/static/data/abs/hccl_CCSDR(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/hccl_CCSDR(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDR(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hccl_CCSDT-3_aug-cc-pVTZ.dat index 092bd0bd..1e04319b 100644 --- a/static/data/abs/hccl_CCSDT-3_aug-cc-pVTZ.dat +++ b/static/data/abs/hccl_CCSDT-3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT-3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_CCSDTQP_6-31+G(d).dat b/static/data/abs/hccl_CCSDTQP_6-31+G(d).dat index 9cad4d38..60be1aad 100644 --- a/static/data/abs/hccl_CCSDTQP_6-31+G(d).dat +++ b/static/data/abs/hccl_CCSDTQP_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQP,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_CCSDTQ_6-31+G(d).dat b/static/data/abs/hccl_CCSDTQ_6-31+G(d).dat index 407c26a4..8d13b4b6 100644 --- a/static/data/abs/hccl_CCSDTQ_6-31+G(d).dat +++ b/static/data/abs/hccl_CCSDTQ_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQ,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/hccl_CCSDTQ_aug-cc-pVDZ.dat index 8b5398ab..e31797dc 100644 --- a/static/data/abs/hccl_CCSDTQ_aug-cc-pVDZ.dat +++ b/static/data/abs/hccl_CCSDTQ_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQ,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_CCSDT_6-31+G(d).dat b/static/data/abs/hccl_CCSDT_6-31+G(d).dat index 18da4c42..9e60791a 100644 --- a/static/data/abs/hccl_CCSDT_6-31+G(d).dat +++ b/static/data/abs/hccl_CCSDT_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/hccl_CCSDT_aug-cc-pVDZ.dat index 750b6f89..3b4db9eb 100644 --- a/static/data/abs/hccl_CCSDT_aug-cc-pVDZ.dat +++ b/static/data/abs/hccl_CCSDT_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/hccl_CCSDT_aug-cc-pVTZ.dat index 71852f16..b1da70cd 100644 --- a/static/data/abs/hccl_CCSDT_aug-cc-pVTZ.dat +++ b/static/data/abs/hccl_CCSDT_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_CCSD_aug-cc-pVTZ.dat b/static/data/abs/hccl_CCSD_aug-cc-pVTZ.dat index d05e9bde..0d7f40cd 100644 --- a/static/data/abs/hccl_CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/hccl_CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/hccl_CIS(D)_aug-cc-pVTZ.dat index 033022b7..0b006fdf 100644 --- a/static/data/abs/hccl_CIS(D)_aug-cc-pVTZ.dat +++ b/static/data/abs/hccl_CIS(D)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CIS(D),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/hccl_EOM-MP2_aug-cc-pVTZ.dat index c39cc637..438f56a8 100644 --- a/static/data/abs/hccl_EOM-MP2_aug-cc-pVTZ.dat +++ b/static/data/abs/hccl_EOM-MP2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : EOM-MP2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_FCI_aug-cc-pVDZ.dat b/static/data/abs/hccl_FCI_aug-cc-pVDZ.dat index 1695167c..e322d7d8 100644 --- a/static/data/abs/hccl_FCI_aug-cc-pVDZ.dat +++ b/static/data/abs/hccl_FCI_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : FCI,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_FCI_aug-cc-pVTZ.dat b/static/data/abs/hccl_FCI_aug-cc-pVTZ.dat index 7ceb1698..d7982bdf 100644 --- a/static/data/abs/hccl_FCI_aug-cc-pVTZ.dat +++ b/static/data/abs/hccl_FCI_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : FCI,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/hccl_SCS-CC2 [TM]_aug-cc-pVTZ.dat index 74b491a6..fb2682a7 100644 --- a/static/data/abs/hccl_SCS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/hccl_SCS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SCS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/hccl_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat index 09d2e811..0c491888 100644 --- a/static/data/abs/hccl_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat +++ b/static/data/abs/hccl_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [QM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/hccl_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat index 092e6e5c..c78a8cb3 100644 --- a/static/data/abs/hccl_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/hccl_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/hccl_SOS-CC2 [TM]_aug-cc-pVTZ.dat index ede51078..dc6291ab 100644 --- a/static/data/abs/hccl_SOS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/hccl_SOS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/hccl_STEOM-CCSD_aug-cc-pVTZ.dat index 32e58a14..98cf9511 100644 --- a/static/data/abs/hccl_STEOM-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/hccl_STEOM-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : STEOM-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/hccl_TBE(FC)_aug-cc-pVTZ.dat index 119912e4..1547d1b0 100644 --- a/static/data/abs/hccl_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/hccl_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hccl_TBE_CBS.dat b/static/data/abs/hccl_TBE_CBS.dat index 434ad732..ec4cdf9a 100644 --- a/static/data/abs/hccl_TBE_CBS.dat +++ b/static/data/abs/hccl_TBE_CBS.dat @@ -3,7 +3,7 @@ # code : # method : TBE,CBS # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/hcf_ADC(2)_aug-cc-pVTZ.dat index 9ffce95e..1cd2f150 100644 --- a/static/data/abs/hcf_ADC(2)_aug-cc-pVTZ.dat +++ b/static/data/abs/hcf_ADC(2)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/hcf_ADC(2.5)_aug-cc-pVTZ.dat index 9453b6ca..70fe3c3b 100644 --- a/static/data/abs/hcf_ADC(2.5)_aug-cc-pVTZ.dat +++ b/static/data/abs/hcf_ADC(2.5)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2.5),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/hcf_ADC(3)_aug-cc-pVTZ.dat index 4ddf8447..3d53a20c 100644 --- a/static/data/abs/hcf_ADC(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/hcf_ADC(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_CC2_aug-cc-pVTZ.dat b/static/data/abs/hcf_CC2_aug-cc-pVTZ.dat index a9a242ac..afe2b120 100644 --- a/static/data/abs/hcf_CC2_aug-cc-pVTZ.dat +++ b/static/data/abs/hcf_CC2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_CC3(FC)_6-31+G(d).dat b/static/data/abs/hcf_CC3(FC)_6-31+G(d).dat index 122babd0..8ae83a00 100644 --- a/static/data/abs/hcf_CC3(FC)_6-31+G(d).dat +++ b/static/data/abs/hcf_CC3(FC)_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_CC3(FC)_aug-cc-pV5Z.dat b/static/data/abs/hcf_CC3(FC)_aug-cc-pV5Z.dat index 1e66c94d..dc2c18d5 100644 --- a/static/data/abs/hcf_CC3(FC)_aug-cc-pV5Z.dat +++ b/static/data/abs/hcf_CC3(FC)_aug-cc-pV5Z.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pV5Z # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/hcf_CC3(FC)_aug-cc-pVDZ.dat index 711bcc69..1f46cb28 100644 --- a/static/data/abs/hcf_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/hcf_CC3(FC)_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/hcf_CC3(FC)_aug-cc-pVQZ.dat index ef08bdad..b5ed2a3f 100644 --- a/static/data/abs/hcf_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/hcf_CC3(FC)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/hcf_CC3(FC)_aug-cc-pVTZ.dat index f6161751..8914ef1c 100644 --- a/static/data/abs/hcf_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/hcf_CC3(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/hcf_CC3(Full)_aug-cc-pCVQZ.dat index c6d8c95c..d887aef2 100644 --- a/static/data/abs/hcf_CC3(Full)_aug-cc-pCVQZ.dat +++ b/static/data/abs/hcf_CC3(Full)_aug-cc-pCVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(Full),aug-cc-pCVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/hcf_CC3(Full)_aug-cc-pVQZ.dat index 627bb560..5a1b9ba9 100644 --- a/static/data/abs/hcf_CC3(Full)_aug-cc-pVQZ.dat +++ b/static/data/abs/hcf_CC3(Full)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(Full),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_CC3_6-31+G(d).dat b/static/data/abs/hcf_CC3_6-31+G(d).dat index 92a9d624..ce76daa5 100644 --- a/static/data/abs/hcf_CC3_6-31+G(d).dat +++ b/static/data/abs/hcf_CC3_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_CC3_aug-cc-pVDZ.dat b/static/data/abs/hcf_CC3_aug-cc-pVDZ.dat index b2884861..6c599577 100644 --- a/static/data/abs/hcf_CC3_aug-cc-pVDZ.dat +++ b/static/data/abs/hcf_CC3_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_CC3_aug-cc-pVTZ.dat b/static/data/abs/hcf_CC3_aug-cc-pVTZ.dat index 96d82d4c..cbc0a100 100644 --- a/static/data/abs/hcf_CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/hcf_CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/hcf_CCSDR(3)_aug-cc-pVTZ.dat index 80b5b585..5ff92719 100644 --- a/static/data/abs/hcf_CCSDR(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/hcf_CCSDR(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDR(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hcf_CCSDT-3_aug-cc-pVTZ.dat index be9f12c0..60656e19 100644 --- a/static/data/abs/hcf_CCSDT-3_aug-cc-pVTZ.dat +++ b/static/data/abs/hcf_CCSDT-3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT-3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_CCSDTQP_6-31+G(d).dat b/static/data/abs/hcf_CCSDTQP_6-31+G(d).dat index 7afe82e6..53d94840 100644 --- a/static/data/abs/hcf_CCSDTQP_6-31+G(d).dat +++ b/static/data/abs/hcf_CCSDTQP_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQP,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_CCSDTQ_6-31+G(d).dat b/static/data/abs/hcf_CCSDTQ_6-31+G(d).dat index 6515a79b..ec4f1a28 100644 --- a/static/data/abs/hcf_CCSDTQ_6-31+G(d).dat +++ b/static/data/abs/hcf_CCSDTQ_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQ,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/hcf_CCSDTQ_aug-cc-pVDZ.dat index c1187112..d6eb6b09 100644 --- a/static/data/abs/hcf_CCSDTQ_aug-cc-pVDZ.dat +++ b/static/data/abs/hcf_CCSDTQ_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQ,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_CCSDT_6-31+G(d).dat b/static/data/abs/hcf_CCSDT_6-31+G(d).dat index 24a7cad9..9f4ea440 100644 --- a/static/data/abs/hcf_CCSDT_6-31+G(d).dat +++ b/static/data/abs/hcf_CCSDT_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/hcf_CCSDT_aug-cc-pVDZ.dat index 1c944ec6..77381899 100644 --- a/static/data/abs/hcf_CCSDT_aug-cc-pVDZ.dat +++ b/static/data/abs/hcf_CCSDT_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/hcf_CCSDT_aug-cc-pVTZ.dat index 265ec087..f61aa176 100644 --- a/static/data/abs/hcf_CCSDT_aug-cc-pVTZ.dat +++ b/static/data/abs/hcf_CCSDT_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_CCSD_aug-cc-pVTZ.dat b/static/data/abs/hcf_CCSD_aug-cc-pVTZ.dat index bcc7104a..0c542df5 100644 --- a/static/data/abs/hcf_CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/hcf_CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/hcf_CIS(D)_aug-cc-pVTZ.dat index 2bb25343..c3dc6955 100644 --- a/static/data/abs/hcf_CIS(D)_aug-cc-pVTZ.dat +++ b/static/data/abs/hcf_CIS(D)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CIS(D),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/hcf_EOM-MP2_aug-cc-pVTZ.dat index f29b9b9b..6639ab2b 100644 --- a/static/data/abs/hcf_EOM-MP2_aug-cc-pVTZ.dat +++ b/static/data/abs/hcf_EOM-MP2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : EOM-MP2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_FCI_aug-cc-pVDZ.dat b/static/data/abs/hcf_FCI_aug-cc-pVDZ.dat index f599ae5c..5504d821 100644 --- a/static/data/abs/hcf_FCI_aug-cc-pVDZ.dat +++ b/static/data/abs/hcf_FCI_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : FCI,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_FCI_aug-cc-pVTZ.dat b/static/data/abs/hcf_FCI_aug-cc-pVTZ.dat index a1c4fa64..0c0a2c90 100644 --- a/static/data/abs/hcf_FCI_aug-cc-pVTZ.dat +++ b/static/data/abs/hcf_FCI_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : FCI,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/hcf_SCS-CC2 [TM]_aug-cc-pVTZ.dat index 53a6e300..99ed69e4 100644 --- a/static/data/abs/hcf_SCS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/hcf_SCS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SCS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/hcf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat index eb15d398..cdb24437 100644 --- a/static/data/abs/hcf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat +++ b/static/data/abs/hcf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [QM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/hcf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat index a5f7782c..9c2c313a 100644 --- a/static/data/abs/hcf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/hcf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/hcf_SOS-CC2 [TM]_aug-cc-pVTZ.dat index 055c10fe..895f7b6e 100644 --- a/static/data/abs/hcf_SOS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/hcf_SOS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/hcf_STEOM-CCSD_aug-cc-pVTZ.dat index 2fc358e9..560aaaa6 100644 --- a/static/data/abs/hcf_STEOM-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/hcf_STEOM-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : STEOM-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/hcf_TBE(FC)_aug-cc-pVTZ.dat index 0fceee06..51dfe337 100644 --- a/static/data/abs/hcf_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/hcf_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcf_TBE_CBS.dat b/static/data/abs/hcf_TBE_CBS.dat index 542550ed..1956764a 100644 --- a/static/data/abs/hcf_TBE_CBS.dat +++ b/static/data/abs/hcf_TBE_CBS.dat @@ -3,7 +3,7 @@ # code : # method : TBE,CBS # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hco_RO-CC3_aug-cc-pVTZ.dat b/static/data/abs/hco_RO-CC3_aug-cc-pVTZ.dat index 962f5caa..75e13058 100644 --- a/static/data/abs/hco_RO-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/hco_RO-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hco_RO-CCSD_aug-cc-pVTZ.dat b/static/data/abs/hco_RO-CCSD_aug-cc-pVTZ.dat index a2d822d1..28694217 100644 --- a/static/data/abs/hco_RO-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/hco_RO-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hco_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/hco_TBE(FC)_aug-cc-pVTZ.dat index d3fe07db..ba0191f9 100644 --- a/static/data/abs/hco_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/hco_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hco_U-CC3_aug-cc-pVTZ.dat b/static/data/abs/hco_U-CC3_aug-cc-pVTZ.dat index 968e7ba3..5de6f6c5 100644 --- a/static/data/abs/hco_U-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/hco_U-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hco_U-CCSD_aug-cc-pVTZ.dat b/static/data/abs/hco_U-CCSD_aug-cc-pVTZ.dat index f045158d..d62d3cbd 100644 --- a/static/data/abs/hco_U-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/hco_U-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/hcp_ADC(2)_aug-cc-pVTZ.dat index 0aac50ef..6471c8c4 100644 --- a/static/data/abs/hcp_ADC(2)_aug-cc-pVTZ.dat +++ b/static/data/abs/hcp_ADC(2)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/hcp_ADC(2.5)_aug-cc-pVTZ.dat index e806f2be..bb082664 100644 --- a/static/data/abs/hcp_ADC(2.5)_aug-cc-pVTZ.dat +++ b/static/data/abs/hcp_ADC(2.5)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2.5),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/hcp_ADC(3)_aug-cc-pVTZ.dat index bf635c0b..661f7877 100644 --- a/static/data/abs/hcp_ADC(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/hcp_ADC(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_CC2_aug-cc-pVTZ.dat b/static/data/abs/hcp_CC2_aug-cc-pVTZ.dat index a2c8d85b..6de39528 100644 --- a/static/data/abs/hcp_CC2_aug-cc-pVTZ.dat +++ b/static/data/abs/hcp_CC2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_CC3(FC)_6-31+G(d).dat b/static/data/abs/hcp_CC3(FC)_6-31+G(d).dat index af85dfa6..4f16cc27 100644 --- a/static/data/abs/hcp_CC3(FC)_6-31+G(d).dat +++ b/static/data/abs/hcp_CC3(FC)_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_CC3(FC)_aug-cc-pV5Z.dat b/static/data/abs/hcp_CC3(FC)_aug-cc-pV5Z.dat index 40a044b8..eaf96b98 100644 --- a/static/data/abs/hcp_CC3(FC)_aug-cc-pV5Z.dat +++ b/static/data/abs/hcp_CC3(FC)_aug-cc-pV5Z.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pV5Z # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/hcp_CC3(FC)_aug-cc-pVDZ.dat index dd68b5a2..595c2f30 100644 --- a/static/data/abs/hcp_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/hcp_CC3(FC)_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/hcp_CC3(FC)_aug-cc-pVQZ.dat index 6c900b62..fb310d24 100644 --- a/static/data/abs/hcp_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/hcp_CC3(FC)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/hcp_CC3(FC)_aug-cc-pVTZ.dat index 65e781f4..cd377a58 100644 --- a/static/data/abs/hcp_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/hcp_CC3(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/hcp_CC3(Full)_aug-cc-pCVQZ.dat index 02e5237c..75891738 100644 --- a/static/data/abs/hcp_CC3(Full)_aug-cc-pCVQZ.dat +++ b/static/data/abs/hcp_CC3(Full)_aug-cc-pCVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(Full),aug-cc-pCVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/hcp_CC3(Full)_aug-cc-pVQZ.dat index 5d2676b3..d26a04fd 100644 --- a/static/data/abs/hcp_CC3(Full)_aug-cc-pVQZ.dat +++ b/static/data/abs/hcp_CC3(Full)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(Full),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_CC3(SC)_aug-cc-pVQZ.dat b/static/data/abs/hcp_CC3(SC)_aug-cc-pVQZ.dat index 4c2a355b..759c4280 100644 --- a/static/data/abs/hcp_CC3(SC)_aug-cc-pVQZ.dat +++ b/static/data/abs/hcp_CC3(SC)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(SC),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_CC3_6-31+G(d).dat b/static/data/abs/hcp_CC3_6-31+G(d).dat index 0bb05471..3f24d5a7 100644 --- a/static/data/abs/hcp_CC3_6-31+G(d).dat +++ b/static/data/abs/hcp_CC3_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_CC3_aug-cc-pVDZ.dat b/static/data/abs/hcp_CC3_aug-cc-pVDZ.dat index a05878c5..2be22d50 100644 --- a/static/data/abs/hcp_CC3_aug-cc-pVDZ.dat +++ b/static/data/abs/hcp_CC3_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_CC3_aug-cc-pVTZ.dat b/static/data/abs/hcp_CC3_aug-cc-pVTZ.dat index a445b5d0..2198c232 100644 --- a/static/data/abs/hcp_CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/hcp_CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/hcp_CCSDR(3)_aug-cc-pVTZ.dat index 45cadde1..5fa3b974 100644 --- a/static/data/abs/hcp_CCSDR(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/hcp_CCSDR(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDR(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hcp_CCSDT-3_aug-cc-pVTZ.dat index 3472df06..84eeca77 100644 --- a/static/data/abs/hcp_CCSDT-3_aug-cc-pVTZ.dat +++ b/static/data/abs/hcp_CCSDT-3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT-3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_CCSDTQP_6-31+G(d).dat b/static/data/abs/hcp_CCSDTQP_6-31+G(d).dat index d1a2bbf6..fd1bf92f 100644 --- a/static/data/abs/hcp_CCSDTQP_6-31+G(d).dat +++ b/static/data/abs/hcp_CCSDTQP_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQP,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_CCSDTQ_6-31+G(d).dat b/static/data/abs/hcp_CCSDTQ_6-31+G(d).dat index b7afab4b..649cbddd 100644 --- a/static/data/abs/hcp_CCSDTQ_6-31+G(d).dat +++ b/static/data/abs/hcp_CCSDTQ_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQ,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/hcp_CCSDTQ_aug-cc-pVDZ.dat index 2d6dde1f..59b23650 100644 --- a/static/data/abs/hcp_CCSDTQ_aug-cc-pVDZ.dat +++ b/static/data/abs/hcp_CCSDTQ_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQ,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_CCSDTQ_aug-cc-pVTZ.dat b/static/data/abs/hcp_CCSDTQ_aug-cc-pVTZ.dat index 2a860daf..ad45759a 100644 --- a/static/data/abs/hcp_CCSDTQ_aug-cc-pVTZ.dat +++ b/static/data/abs/hcp_CCSDTQ_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQ,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_CCSDT_6-31+G(d).dat b/static/data/abs/hcp_CCSDT_6-31+G(d).dat index 10747920..692b2817 100644 --- a/static/data/abs/hcp_CCSDT_6-31+G(d).dat +++ b/static/data/abs/hcp_CCSDT_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/hcp_CCSDT_aug-cc-pVDZ.dat index b05ef086..679a2126 100644 --- a/static/data/abs/hcp_CCSDT_aug-cc-pVDZ.dat +++ b/static/data/abs/hcp_CCSDT_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/hcp_CCSDT_aug-cc-pVTZ.dat index a7b8c09d..19a9df9f 100644 --- a/static/data/abs/hcp_CCSDT_aug-cc-pVTZ.dat +++ b/static/data/abs/hcp_CCSDT_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_CCSD_aug-cc-pVTZ.dat b/static/data/abs/hcp_CCSD_aug-cc-pVTZ.dat index 39b50249..9a069970 100644 --- a/static/data/abs/hcp_CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/hcp_CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/hcp_CIS(D)_aug-cc-pVTZ.dat index cb241522..e31a9654 100644 --- a/static/data/abs/hcp_CIS(D)_aug-cc-pVTZ.dat +++ b/static/data/abs/hcp_CIS(D)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CIS(D),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/hcp_EOM-MP2_aug-cc-pVTZ.dat index f6484cab..759141c2 100644 --- a/static/data/abs/hcp_EOM-MP2_aug-cc-pVTZ.dat +++ b/static/data/abs/hcp_EOM-MP2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : EOM-MP2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_FCI_aug-cc-pVDZ.dat b/static/data/abs/hcp_FCI_aug-cc-pVDZ.dat index ae659ef0..69e7d792 100644 --- a/static/data/abs/hcp_FCI_aug-cc-pVDZ.dat +++ b/static/data/abs/hcp_FCI_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : FCI,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_FCI_aug-cc-pVTZ.dat b/static/data/abs/hcp_FCI_aug-cc-pVTZ.dat index 49106898..2aeca952 100644 --- a/static/data/abs/hcp_FCI_aug-cc-pVTZ.dat +++ b/static/data/abs/hcp_FCI_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : FCI,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/hcp_SCS-CC2 [TM]_aug-cc-pVTZ.dat index 3709aed0..1f34c27a 100644 --- a/static/data/abs/hcp_SCS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/hcp_SCS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SCS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/hcp_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat index dab522d2..615821a7 100644 --- a/static/data/abs/hcp_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat +++ b/static/data/abs/hcp_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [QM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/hcp_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat index 698c8279..bd812800 100644 --- a/static/data/abs/hcp_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/hcp_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/hcp_SOS-CC2 [TM]_aug-cc-pVTZ.dat index 708e9b3d..31ada92e 100644 --- a/static/data/abs/hcp_SOS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/hcp_SOS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/hcp_STEOM-CCSD_aug-cc-pVTZ.dat index 586bc32e..91193d89 100644 --- a/static/data/abs/hcp_STEOM-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/hcp_STEOM-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : STEOM-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/hcp_TBE(FC)_aug-cc-pVTZ.dat index d5311132..ca600516 100644 --- a/static/data/abs/hcp_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/hcp_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hcp_TBE_CBS.dat b/static/data/abs/hcp_TBE_CBS.dat index e6b2947d..4e298fad 100644 --- a/static/data/abs/hcp_TBE_CBS.dat +++ b/static/data/abs/hcp_TBE_CBS.dat @@ -3,7 +3,7 @@ # code : # method : TBE,CBS # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hoc_RO-CC3_aug-cc-pVTZ.dat b/static/data/abs/hoc_RO-CC3_aug-cc-pVTZ.dat index 69d1c455..df679669 100644 --- a/static/data/abs/hoc_RO-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/hoc_RO-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hoc_RO-CCSD_aug-cc-pVTZ.dat b/static/data/abs/hoc_RO-CCSD_aug-cc-pVTZ.dat index 1c716793..89e37bc8 100644 --- a/static/data/abs/hoc_RO-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/hoc_RO-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hoc_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/hoc_TBE(FC)_aug-cc-pVTZ.dat index c2623020..0ed236a1 100644 --- a/static/data/abs/hoc_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/hoc_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hoc_U-CC3_aug-cc-pVTZ.dat b/static/data/abs/hoc_U-CC3_aug-cc-pVTZ.dat index 5bb75401..0678fe97 100644 --- a/static/data/abs/hoc_U-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/hoc_U-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hoc_U-CCSD_aug-cc-pVTZ.dat b/static/data/abs/hoc_U-CCSD_aug-cc-pVTZ.dat index af3b4a77..cd52f11d 100644 --- a/static/data/abs/hoc_U-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/hoc_U-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/hpo_ADC(2)_aug-cc-pVTZ.dat index a0b26332..0eb3a068 100644 --- a/static/data/abs/hpo_ADC(2)_aug-cc-pVTZ.dat +++ b/static/data/abs/hpo_ADC(2)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/hpo_ADC(2.5)_aug-cc-pVTZ.dat index 816bbecb..3dba0732 100644 --- a/static/data/abs/hpo_ADC(2.5)_aug-cc-pVTZ.dat +++ b/static/data/abs/hpo_ADC(2.5)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2.5),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/hpo_ADC(3)_aug-cc-pVTZ.dat index 51408c28..de578ba3 100644 --- a/static/data/abs/hpo_ADC(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/hpo_ADC(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_CC2_aug-cc-pVTZ.dat b/static/data/abs/hpo_CC2_aug-cc-pVTZ.dat index 65fac890..3917eaea 100644 --- a/static/data/abs/hpo_CC2_aug-cc-pVTZ.dat +++ b/static/data/abs/hpo_CC2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_CC3(FC)_6-31+G(d).dat b/static/data/abs/hpo_CC3(FC)_6-31+G(d).dat index 25f95022..d4deeed7 100644 --- a/static/data/abs/hpo_CC3(FC)_6-31+G(d).dat +++ b/static/data/abs/hpo_CC3(FC)_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_CC3(FC)_aug-cc-pV5Z.dat b/static/data/abs/hpo_CC3(FC)_aug-cc-pV5Z.dat index e236f445..7391d4f4 100644 --- a/static/data/abs/hpo_CC3(FC)_aug-cc-pV5Z.dat +++ b/static/data/abs/hpo_CC3(FC)_aug-cc-pV5Z.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pV5Z # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/hpo_CC3(FC)_aug-cc-pVDZ.dat index 693b7f16..a3da0fa9 100644 --- a/static/data/abs/hpo_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/hpo_CC3(FC)_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/hpo_CC3(FC)_aug-cc-pVQZ.dat index 1b5ddd01..fb1243da 100644 --- a/static/data/abs/hpo_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/hpo_CC3(FC)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/hpo_CC3(FC)_aug-cc-pVTZ.dat index 5442d072..7939aed6 100644 --- a/static/data/abs/hpo_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/hpo_CC3(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/hpo_CC3(Full)_aug-cc-pCVQZ.dat index fbd9200c..977d3967 100644 --- a/static/data/abs/hpo_CC3(Full)_aug-cc-pCVQZ.dat +++ b/static/data/abs/hpo_CC3(Full)_aug-cc-pCVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(Full),aug-cc-pCVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/hpo_CC3(Full)_aug-cc-pVQZ.dat index e1943a7a..e14eabde 100644 --- a/static/data/abs/hpo_CC3(Full)_aug-cc-pVQZ.dat +++ b/static/data/abs/hpo_CC3(Full)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(Full),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_CC3(SC)_aug-cc-pVQZ.dat b/static/data/abs/hpo_CC3(SC)_aug-cc-pVQZ.dat index 14dc4a8d..056e3b89 100644 --- a/static/data/abs/hpo_CC3(SC)_aug-cc-pVQZ.dat +++ b/static/data/abs/hpo_CC3(SC)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(SC),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_CC3_6-31+G(d).dat b/static/data/abs/hpo_CC3_6-31+G(d).dat index 8e124856..d7821fbe 100644 --- a/static/data/abs/hpo_CC3_6-31+G(d).dat +++ b/static/data/abs/hpo_CC3_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_CC3_aug-cc-pVDZ.dat b/static/data/abs/hpo_CC3_aug-cc-pVDZ.dat index 602df3bf..ef8e456d 100644 --- a/static/data/abs/hpo_CC3_aug-cc-pVDZ.dat +++ b/static/data/abs/hpo_CC3_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_CC3_aug-cc-pVTZ.dat b/static/data/abs/hpo_CC3_aug-cc-pVTZ.dat index 70f2a6ff..0cb9dc49 100644 --- a/static/data/abs/hpo_CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/hpo_CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/hpo_CCSDR(3)_aug-cc-pVTZ.dat index 63a82fbf..7116b1bc 100644 --- a/static/data/abs/hpo_CCSDR(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/hpo_CCSDR(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDR(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hpo_CCSDT-3_aug-cc-pVTZ.dat index c5398d9b..ca83ce2f 100644 --- a/static/data/abs/hpo_CCSDT-3_aug-cc-pVTZ.dat +++ b/static/data/abs/hpo_CCSDT-3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT-3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_CCSDTQP_6-31+G(d).dat b/static/data/abs/hpo_CCSDTQP_6-31+G(d).dat index af98ae4c..e313414d 100644 --- a/static/data/abs/hpo_CCSDTQP_6-31+G(d).dat +++ b/static/data/abs/hpo_CCSDTQP_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQP,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_CCSDTQ_6-31+G(d).dat b/static/data/abs/hpo_CCSDTQ_6-31+G(d).dat index e001bd3f..09002b98 100644 --- a/static/data/abs/hpo_CCSDTQ_6-31+G(d).dat +++ b/static/data/abs/hpo_CCSDTQ_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQ,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/hpo_CCSDTQ_aug-cc-pVDZ.dat index 2c8d00ad..433aa19f 100644 --- a/static/data/abs/hpo_CCSDTQ_aug-cc-pVDZ.dat +++ b/static/data/abs/hpo_CCSDTQ_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQ,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_CCSDT_6-31+G(d).dat b/static/data/abs/hpo_CCSDT_6-31+G(d).dat index cd4bcd92..ffa9038b 100644 --- a/static/data/abs/hpo_CCSDT_6-31+G(d).dat +++ b/static/data/abs/hpo_CCSDT_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/hpo_CCSDT_aug-cc-pVDZ.dat index 32fe7882..175f61a3 100644 --- a/static/data/abs/hpo_CCSDT_aug-cc-pVDZ.dat +++ b/static/data/abs/hpo_CCSDT_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/hpo_CCSDT_aug-cc-pVTZ.dat index 5918f8cd..2cd44ba9 100644 --- a/static/data/abs/hpo_CCSDT_aug-cc-pVTZ.dat +++ b/static/data/abs/hpo_CCSDT_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_CCSD_aug-cc-pVTZ.dat b/static/data/abs/hpo_CCSD_aug-cc-pVTZ.dat index 7f9b0480..39d6c61f 100644 --- a/static/data/abs/hpo_CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/hpo_CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/hpo_CIS(D)_aug-cc-pVTZ.dat index 214c8237..707bff97 100644 --- a/static/data/abs/hpo_CIS(D)_aug-cc-pVTZ.dat +++ b/static/data/abs/hpo_CIS(D)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CIS(D),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/hpo_EOM-MP2_aug-cc-pVTZ.dat index e754dd52..e43717bb 100644 --- a/static/data/abs/hpo_EOM-MP2_aug-cc-pVTZ.dat +++ b/static/data/abs/hpo_EOM-MP2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : EOM-MP2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_FCI_aug-cc-pVDZ.dat b/static/data/abs/hpo_FCI_aug-cc-pVDZ.dat index 823a7cc1..4e867ca5 100644 --- a/static/data/abs/hpo_FCI_aug-cc-pVDZ.dat +++ b/static/data/abs/hpo_FCI_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : FCI,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_FCI_aug-cc-pVTZ.dat b/static/data/abs/hpo_FCI_aug-cc-pVTZ.dat index 39114582..e7b06751 100644 --- a/static/data/abs/hpo_FCI_aug-cc-pVTZ.dat +++ b/static/data/abs/hpo_FCI_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : FCI,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/hpo_SCS-CC2 [TM]_aug-cc-pVTZ.dat index 3ec1eaf0..f361ebd3 100644 --- a/static/data/abs/hpo_SCS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/hpo_SCS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SCS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/hpo_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat index 49851a95..b03001e2 100644 --- a/static/data/abs/hpo_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat +++ b/static/data/abs/hpo_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [QM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/hpo_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat index 31848d12..751167b4 100644 --- a/static/data/abs/hpo_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/hpo_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/hpo_SOS-CC2 [TM]_aug-cc-pVTZ.dat index aefff4d3..3761b520 100644 --- a/static/data/abs/hpo_SOS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/hpo_SOS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/hpo_STEOM-CCSD_aug-cc-pVTZ.dat index c480695c..c8eaa445 100644 --- a/static/data/abs/hpo_STEOM-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/hpo_STEOM-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : STEOM-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/hpo_TBE(FC)_aug-cc-pVTZ.dat index 6b08b5a2..767a8576 100644 --- a/static/data/abs/hpo_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/hpo_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hpo_TBE_CBS.dat b/static/data/abs/hpo_TBE_CBS.dat index 12d5e24e..e09ffc14 100644 --- a/static/data/abs/hpo_TBE_CBS.dat +++ b/static/data/abs/hpo_TBE_CBS.dat @@ -3,7 +3,7 @@ # code : # method : TBE,CBS # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/hps_ADC(2)_aug-cc-pVTZ.dat index 136e0a7e..d1115fb2 100644 --- a/static/data/abs/hps_ADC(2)_aug-cc-pVTZ.dat +++ b/static/data/abs/hps_ADC(2)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/hps_ADC(2.5)_aug-cc-pVTZ.dat index 8b8ce9c5..f7a41bd0 100644 --- a/static/data/abs/hps_ADC(2.5)_aug-cc-pVTZ.dat +++ b/static/data/abs/hps_ADC(2.5)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2.5),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/hps_ADC(3)_aug-cc-pVTZ.dat index 5af239ec..e92fd232 100644 --- a/static/data/abs/hps_ADC(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/hps_ADC(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_CC2_aug-cc-pVTZ.dat b/static/data/abs/hps_CC2_aug-cc-pVTZ.dat index 025042b2..50f8d1a7 100644 --- a/static/data/abs/hps_CC2_aug-cc-pVTZ.dat +++ b/static/data/abs/hps_CC2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_CC3(FC)_6-31+G(d).dat b/static/data/abs/hps_CC3(FC)_6-31+G(d).dat index f702d99f..48a9dc26 100644 --- a/static/data/abs/hps_CC3(FC)_6-31+G(d).dat +++ b/static/data/abs/hps_CC3(FC)_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_CC3(FC)_aug-cc-pV5Z.dat b/static/data/abs/hps_CC3(FC)_aug-cc-pV5Z.dat index 15e8d01c..b456f440 100644 --- a/static/data/abs/hps_CC3(FC)_aug-cc-pV5Z.dat +++ b/static/data/abs/hps_CC3(FC)_aug-cc-pV5Z.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pV5Z # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/hps_CC3(FC)_aug-cc-pVDZ.dat index b5e170e1..8b1494c2 100644 --- a/static/data/abs/hps_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/hps_CC3(FC)_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/hps_CC3(FC)_aug-cc-pVQZ.dat index b1867416..4868f4b9 100644 --- a/static/data/abs/hps_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/hps_CC3(FC)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/hps_CC3(FC)_aug-cc-pVTZ.dat index 73f42b42..18a374d5 100644 --- a/static/data/abs/hps_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/hps_CC3(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/hps_CC3(Full)_aug-cc-pCVQZ.dat index e3379f7d..1d2e59bb 100644 --- a/static/data/abs/hps_CC3(Full)_aug-cc-pCVQZ.dat +++ b/static/data/abs/hps_CC3(Full)_aug-cc-pCVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(Full),aug-cc-pCVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/hps_CC3(Full)_aug-cc-pVQZ.dat index e92819e4..4ab111e5 100644 --- a/static/data/abs/hps_CC3(Full)_aug-cc-pVQZ.dat +++ b/static/data/abs/hps_CC3(Full)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(Full),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_CC3(SC)_aug-cc-pVQZ.dat b/static/data/abs/hps_CC3(SC)_aug-cc-pVQZ.dat index 865f481c..da36c2ae 100644 --- a/static/data/abs/hps_CC3(SC)_aug-cc-pVQZ.dat +++ b/static/data/abs/hps_CC3(SC)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(SC),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_CC3_6-31+G(d).dat b/static/data/abs/hps_CC3_6-31+G(d).dat index c36cdd9e..6bab8179 100644 --- a/static/data/abs/hps_CC3_6-31+G(d).dat +++ b/static/data/abs/hps_CC3_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_CC3_aug-cc-pVDZ.dat b/static/data/abs/hps_CC3_aug-cc-pVDZ.dat index 378764f1..5c701e91 100644 --- a/static/data/abs/hps_CC3_aug-cc-pVDZ.dat +++ b/static/data/abs/hps_CC3_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_CC3_aug-cc-pVTZ.dat b/static/data/abs/hps_CC3_aug-cc-pVTZ.dat index 1169aa78..92502af3 100644 --- a/static/data/abs/hps_CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/hps_CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/hps_CCSDR(3)_aug-cc-pVTZ.dat index 1fdb6312..dba2ec9b 100644 --- a/static/data/abs/hps_CCSDR(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/hps_CCSDR(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDR(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hps_CCSDT-3_aug-cc-pVTZ.dat index 480b2933..755cc703 100644 --- a/static/data/abs/hps_CCSDT-3_aug-cc-pVTZ.dat +++ b/static/data/abs/hps_CCSDT-3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT-3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_CCSDTQP_6-31+G(d).dat b/static/data/abs/hps_CCSDTQP_6-31+G(d).dat index c3113917..69d902ce 100644 --- a/static/data/abs/hps_CCSDTQP_6-31+G(d).dat +++ b/static/data/abs/hps_CCSDTQP_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQP,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_CCSDTQ_6-31+G(d).dat b/static/data/abs/hps_CCSDTQ_6-31+G(d).dat index ab208d52..2cd8c14b 100644 --- a/static/data/abs/hps_CCSDTQ_6-31+G(d).dat +++ b/static/data/abs/hps_CCSDTQ_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQ,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/hps_CCSDTQ_aug-cc-pVDZ.dat index 2fa01685..2ffebfd7 100644 --- a/static/data/abs/hps_CCSDTQ_aug-cc-pVDZ.dat +++ b/static/data/abs/hps_CCSDTQ_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQ,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_CCSDT_6-31+G(d).dat b/static/data/abs/hps_CCSDT_6-31+G(d).dat index ca7362f8..1f3beb80 100644 --- a/static/data/abs/hps_CCSDT_6-31+G(d).dat +++ b/static/data/abs/hps_CCSDT_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/hps_CCSDT_aug-cc-pVDZ.dat index 5d73565b..274d9977 100644 --- a/static/data/abs/hps_CCSDT_aug-cc-pVDZ.dat +++ b/static/data/abs/hps_CCSDT_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/hps_CCSDT_aug-cc-pVTZ.dat index 502fbcc4..3544b238 100644 --- a/static/data/abs/hps_CCSDT_aug-cc-pVTZ.dat +++ b/static/data/abs/hps_CCSDT_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_CCSD_aug-cc-pVTZ.dat b/static/data/abs/hps_CCSD_aug-cc-pVTZ.dat index 2926b3a2..fdbe08ab 100644 --- a/static/data/abs/hps_CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/hps_CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/hps_CIS(D)_aug-cc-pVTZ.dat index e3674abe..26a395dd 100644 --- a/static/data/abs/hps_CIS(D)_aug-cc-pVTZ.dat +++ b/static/data/abs/hps_CIS(D)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CIS(D),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/hps_EOM-MP2_aug-cc-pVTZ.dat index 03935cb5..92ec3b39 100644 --- a/static/data/abs/hps_EOM-MP2_aug-cc-pVTZ.dat +++ b/static/data/abs/hps_EOM-MP2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : EOM-MP2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_FCI_aug-cc-pVDZ.dat b/static/data/abs/hps_FCI_aug-cc-pVDZ.dat index 8992d734..fa8d5be3 100644 --- a/static/data/abs/hps_FCI_aug-cc-pVDZ.dat +++ b/static/data/abs/hps_FCI_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : FCI,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_FCI_aug-cc-pVTZ.dat b/static/data/abs/hps_FCI_aug-cc-pVTZ.dat index 67c956f1..a6a4e795 100644 --- a/static/data/abs/hps_FCI_aug-cc-pVTZ.dat +++ b/static/data/abs/hps_FCI_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : FCI,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/hps_SCS-CC2 [TM]_aug-cc-pVTZ.dat index 6afd2d7a..a4671d58 100644 --- a/static/data/abs/hps_SCS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/hps_SCS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SCS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/hps_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat index a8bced06..f3472455 100644 --- a/static/data/abs/hps_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat +++ b/static/data/abs/hps_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [QM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/hps_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat index 2bba98a9..5eccc985 100644 --- a/static/data/abs/hps_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/hps_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/hps_SOS-CC2 [TM]_aug-cc-pVTZ.dat index f0b1fdd2..b0eeb5e6 100644 --- a/static/data/abs/hps_SOS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/hps_SOS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/hps_STEOM-CCSD_aug-cc-pVTZ.dat index a4b2487d..a969cd30 100644 --- a/static/data/abs/hps_STEOM-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/hps_STEOM-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : STEOM-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/hps_TBE(FC)_aug-cc-pVTZ.dat index b8d3aeaa..bc97f313 100644 --- a/static/data/abs/hps_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/hps_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hps_TBE_CBS.dat b/static/data/abs/hps_TBE_CBS.dat index 0b70573a..52492c31 100644 --- a/static/data/abs/hps_TBE_CBS.dat +++ b/static/data/abs/hps_TBE_CBS.dat @@ -3,7 +3,7 @@ # code : # method : TBE,CBS # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/hsif_ADC(2)_aug-cc-pVTZ.dat index 4f1ff229..9295d1f1 100644 --- a/static/data/abs/hsif_ADC(2)_aug-cc-pVTZ.dat +++ b/static/data/abs/hsif_ADC(2)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/hsif_ADC(2.5)_aug-cc-pVTZ.dat index f3c84c9e..45e4fe96 100644 --- a/static/data/abs/hsif_ADC(2.5)_aug-cc-pVTZ.dat +++ b/static/data/abs/hsif_ADC(2.5)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2.5),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/hsif_ADC(3)_aug-cc-pVTZ.dat index f8bb3c91..3e6ea9e5 100644 --- a/static/data/abs/hsif_ADC(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/hsif_ADC(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_CC2_aug-cc-pVTZ.dat b/static/data/abs/hsif_CC2_aug-cc-pVTZ.dat index a207944d..5f63e5c1 100644 --- a/static/data/abs/hsif_CC2_aug-cc-pVTZ.dat +++ b/static/data/abs/hsif_CC2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_CC3(FC)_6-31+G(d).dat b/static/data/abs/hsif_CC3(FC)_6-31+G(d).dat index fd13b7c9..eae287ca 100644 --- a/static/data/abs/hsif_CC3(FC)_6-31+G(d).dat +++ b/static/data/abs/hsif_CC3(FC)_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_CC3(FC)_aug-cc-pV5Z.dat b/static/data/abs/hsif_CC3(FC)_aug-cc-pV5Z.dat index 9cd74b54..436648c3 100644 --- a/static/data/abs/hsif_CC3(FC)_aug-cc-pV5Z.dat +++ b/static/data/abs/hsif_CC3(FC)_aug-cc-pV5Z.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pV5Z # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/hsif_CC3(FC)_aug-cc-pVDZ.dat index fac7e46b..ca4b1e77 100644 --- a/static/data/abs/hsif_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/hsif_CC3(FC)_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/hsif_CC3(FC)_aug-cc-pVQZ.dat index 3c03c6c6..a01f79bc 100644 --- a/static/data/abs/hsif_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/hsif_CC3(FC)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/hsif_CC3(FC)_aug-cc-pVTZ.dat index eb13eab1..def23eba 100644 --- a/static/data/abs/hsif_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/hsif_CC3(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/hsif_CC3(Full)_aug-cc-pCVQZ.dat index c12d3831..d70aa9b9 100644 --- a/static/data/abs/hsif_CC3(Full)_aug-cc-pCVQZ.dat +++ b/static/data/abs/hsif_CC3(Full)_aug-cc-pCVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(Full),aug-cc-pCVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/hsif_CC3(Full)_aug-cc-pVQZ.dat index 9f6feb9b..edcecd9d 100644 --- a/static/data/abs/hsif_CC3(Full)_aug-cc-pVQZ.dat +++ b/static/data/abs/hsif_CC3(Full)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(Full),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_CC3(SC)_aug-cc-pVQZ.dat b/static/data/abs/hsif_CC3(SC)_aug-cc-pVQZ.dat index 054f6e0e..7000cab1 100644 --- a/static/data/abs/hsif_CC3(SC)_aug-cc-pVQZ.dat +++ b/static/data/abs/hsif_CC3(SC)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(SC),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_CC3_6-31+G(d).dat b/static/data/abs/hsif_CC3_6-31+G(d).dat index 8df720e0..d1b4d1b4 100644 --- a/static/data/abs/hsif_CC3_6-31+G(d).dat +++ b/static/data/abs/hsif_CC3_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_CC3_aug-cc-pVDZ.dat b/static/data/abs/hsif_CC3_aug-cc-pVDZ.dat index 8e3c50e1..1b2d1233 100644 --- a/static/data/abs/hsif_CC3_aug-cc-pVDZ.dat +++ b/static/data/abs/hsif_CC3_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_CC3_aug-cc-pVTZ.dat b/static/data/abs/hsif_CC3_aug-cc-pVTZ.dat index 004da27c..fa10e0e1 100644 --- a/static/data/abs/hsif_CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/hsif_CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/hsif_CCSDR(3)_aug-cc-pVTZ.dat index 4c3318bd..541e7d78 100644 --- a/static/data/abs/hsif_CCSDR(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/hsif_CCSDR(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDR(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hsif_CCSDT-3_aug-cc-pVTZ.dat index 2fa221cc..773dc585 100644 --- a/static/data/abs/hsif_CCSDT-3_aug-cc-pVTZ.dat +++ b/static/data/abs/hsif_CCSDT-3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT-3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_CCSDTQP_6-31+G(d).dat b/static/data/abs/hsif_CCSDTQP_6-31+G(d).dat index 713ca38f..68f9944f 100644 --- a/static/data/abs/hsif_CCSDTQP_6-31+G(d).dat +++ b/static/data/abs/hsif_CCSDTQP_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQP,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_CCSDTQ_6-31+G(d).dat b/static/data/abs/hsif_CCSDTQ_6-31+G(d).dat index 7022a348..ab5b62e0 100644 --- a/static/data/abs/hsif_CCSDTQ_6-31+G(d).dat +++ b/static/data/abs/hsif_CCSDTQ_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQ,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/hsif_CCSDTQ_aug-cc-pVDZ.dat index 3125155c..3748554e 100644 --- a/static/data/abs/hsif_CCSDTQ_aug-cc-pVDZ.dat +++ b/static/data/abs/hsif_CCSDTQ_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQ,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_CCSDT_6-31+G(d).dat b/static/data/abs/hsif_CCSDT_6-31+G(d).dat index af0df2cf..3bc7cdea 100644 --- a/static/data/abs/hsif_CCSDT_6-31+G(d).dat +++ b/static/data/abs/hsif_CCSDT_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/hsif_CCSDT_aug-cc-pVDZ.dat index f8e2dbd4..183c0604 100644 --- a/static/data/abs/hsif_CCSDT_aug-cc-pVDZ.dat +++ b/static/data/abs/hsif_CCSDT_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/hsif_CCSDT_aug-cc-pVTZ.dat index 930f2527..e23038cc 100644 --- a/static/data/abs/hsif_CCSDT_aug-cc-pVTZ.dat +++ b/static/data/abs/hsif_CCSDT_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_CCSD_aug-cc-pVTZ.dat b/static/data/abs/hsif_CCSD_aug-cc-pVTZ.dat index 5e9a012f..22f35296 100644 --- a/static/data/abs/hsif_CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/hsif_CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/hsif_CIS(D)_aug-cc-pVTZ.dat index f3ada45b..b98fbed1 100644 --- a/static/data/abs/hsif_CIS(D)_aug-cc-pVTZ.dat +++ b/static/data/abs/hsif_CIS(D)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CIS(D),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/hsif_EOM-MP2_aug-cc-pVTZ.dat index cecfe724..7be8e2cb 100644 --- a/static/data/abs/hsif_EOM-MP2_aug-cc-pVTZ.dat +++ b/static/data/abs/hsif_EOM-MP2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : EOM-MP2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_FCI_aug-cc-pVDZ.dat b/static/data/abs/hsif_FCI_aug-cc-pVDZ.dat index 6bfce476..103913ed 100644 --- a/static/data/abs/hsif_FCI_aug-cc-pVDZ.dat +++ b/static/data/abs/hsif_FCI_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : FCI,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_FCI_aug-cc-pVTZ.dat b/static/data/abs/hsif_FCI_aug-cc-pVTZ.dat index edb422ae..93d71742 100644 --- a/static/data/abs/hsif_FCI_aug-cc-pVTZ.dat +++ b/static/data/abs/hsif_FCI_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : FCI,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/hsif_SCS-CC2 [TM]_aug-cc-pVTZ.dat index 2419d7c7..2c6d9240 100644 --- a/static/data/abs/hsif_SCS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/hsif_SCS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SCS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/hsif_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat index 88ac5367..cdbacbd6 100644 --- a/static/data/abs/hsif_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat +++ b/static/data/abs/hsif_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [QM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/hsif_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat index cbf82300..86c00ddc 100644 --- a/static/data/abs/hsif_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/hsif_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/hsif_SOS-CC2 [TM]_aug-cc-pVTZ.dat index f2b428fe..fdc268bb 100644 --- a/static/data/abs/hsif_SOS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/hsif_SOS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/hsif_STEOM-CCSD_aug-cc-pVTZ.dat index 1c310742..6aac2925 100644 --- a/static/data/abs/hsif_STEOM-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/hsif_STEOM-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : STEOM-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/hsif_TBE(FC)_aug-cc-pVTZ.dat index a6cb0ad2..2f6ea6eb 100644 --- a/static/data/abs/hsif_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/hsif_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/hsif_TBE_CBS.dat b/static/data/abs/hsif_TBE_CBS.dat index ce6f1bd8..341f0dfc 100644 --- a/static/data/abs/hsif_TBE_CBS.dat +++ b/static/data/abs/hsif_TBE_CBS.dat @@ -3,7 +3,7 @@ # code : # method : TBE,CBS # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/nco_RO-CC3_aug-cc-pVTZ.dat b/static/data/abs/nco_RO-CC3_aug-cc-pVTZ.dat index 9afa7dfd..94526e92 100644 --- a/static/data/abs/nco_RO-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/nco_RO-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/nco_RO-CCSD_aug-cc-pVTZ.dat b/static/data/abs/nco_RO-CCSD_aug-cc-pVTZ.dat index 33e9341c..0fb854e9 100644 --- a/static/data/abs/nco_RO-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/nco_RO-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/nco_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/nco_TBE(FC)_aug-cc-pVTZ.dat index e7d5b077..84b835df 100644 --- a/static/data/abs/nco_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/nco_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/nco_U-CC3_aug-cc-pVTZ.dat b/static/data/abs/nco_U-CC3_aug-cc-pVTZ.dat index 3be39553..59b4da57 100644 --- a/static/data/abs/nco_U-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/nco_U-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/nco_U-CCSD_aug-cc-pVTZ.dat b/static/data/abs/nco_U-CCSD_aug-cc-pVTZ.dat index 2709b9be..bdcb1aef 100644 --- a/static/data/abs/nco_U-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/nco_U-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/nh2_RO-CC3_aug-cc-pVTZ.dat b/static/data/abs/nh2_RO-CC3_aug-cc-pVTZ.dat index 521e15bc..359b1e59 100644 --- a/static/data/abs/nh2_RO-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/nh2_RO-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/nh2_RO-CCSD_aug-cc-pVTZ.dat b/static/data/abs/nh2_RO-CCSD_aug-cc-pVTZ.dat index d5881b93..508b8485 100644 --- a/static/data/abs/nh2_RO-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/nh2_RO-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/nh2_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/nh2_TBE(FC)_aug-cc-pVTZ.dat index 5613e85e..f68f86a6 100644 --- a/static/data/abs/nh2_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/nh2_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/nh2_U-CC3_aug-cc-pVTZ.dat b/static/data/abs/nh2_U-CC3_aug-cc-pVTZ.dat index 90a45dca..54a8738c 100644 --- a/static/data/abs/nh2_U-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/nh2_U-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/nh2_U-CCSD_aug-cc-pVTZ.dat b/static/data/abs/nh2_U-CCSD_aug-cc-pVTZ.dat index e6d6cbbc..2f11176a 100644 --- a/static/data/abs/nh2_U-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/nh2_U-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/nitromethyl_RO-CC3_aug-cc-pVTZ.dat b/static/data/abs/nitromethyl_RO-CC3_aug-cc-pVTZ.dat index bc410759..f84a34a3 100644 --- a/static/data/abs/nitromethyl_RO-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/nitromethyl_RO-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/nitromethyl_RO-CCSD_aug-cc-pVTZ.dat b/static/data/abs/nitromethyl_RO-CCSD_aug-cc-pVTZ.dat index 3496bba9..8113f388 100644 --- a/static/data/abs/nitromethyl_RO-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/nitromethyl_RO-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/nitromethyl_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/nitromethyl_TBE(FC)_aug-cc-pVTZ.dat index 2b05140d..35e25000 100644 --- a/static/data/abs/nitromethyl_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/nitromethyl_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/nitromethyl_U-CC3_aug-cc-pVTZ.dat b/static/data/abs/nitromethyl_U-CC3_aug-cc-pVTZ.dat index e0c2a486..ad4fea7b 100644 --- a/static/data/abs/nitromethyl_U-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/nitromethyl_U-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/nitromethyl_U-CCSD_aug-cc-pVTZ.dat b/static/data/abs/nitromethyl_U-CCSD_aug-cc-pVTZ.dat index cc894815..b969b5ff 100644 --- a/static/data/abs/nitromethyl_U-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/nitromethyl_U-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/no_RO-CC3_aug-cc-pVTZ.dat b/static/data/abs/no_RO-CC3_aug-cc-pVTZ.dat index d3f7e7cf..e8e0429a 100644 --- a/static/data/abs/no_RO-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/no_RO-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/no_RO-CCSD_aug-cc-pVTZ.dat b/static/data/abs/no_RO-CCSD_aug-cc-pVTZ.dat index 1a0bf4b2..d1c239ef 100644 --- a/static/data/abs/no_RO-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/no_RO-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/no_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/no_TBE(FC)_aug-cc-pVTZ.dat index bb5f1168..e1ad435a 100644 --- a/static/data/abs/no_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/no_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/no_U-CC3_aug-cc-pVTZ.dat b/static/data/abs/no_U-CC3_aug-cc-pVTZ.dat index 90f234bb..9442f115 100644 --- a/static/data/abs/no_U-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/no_U-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/no_U-CCSD_aug-cc-pVTZ.dat b/static/data/abs/no_U-CCSD_aug-cc-pVTZ.dat index 0be3594e..af39c139 100644 --- a/static/data/abs/no_U-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/no_U-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/oh_RO-CC3_aug-cc-pVTZ.dat b/static/data/abs/oh_RO-CC3_aug-cc-pVTZ.dat index b44b93b2..5947b4ae 100644 --- a/static/data/abs/oh_RO-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/oh_RO-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/oh_RO-CCSD_aug-cc-pVTZ.dat b/static/data/abs/oh_RO-CCSD_aug-cc-pVTZ.dat index 6e66e575..93f34fcd 100644 --- a/static/data/abs/oh_RO-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/oh_RO-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/oh_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/oh_TBE(FC)_aug-cc-pVTZ.dat index 513a56b6..eaad7fb3 100644 --- a/static/data/abs/oh_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/oh_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/oh_U-CC3_aug-cc-pVTZ.dat b/static/data/abs/oh_U-CC3_aug-cc-pVTZ.dat index 7bd39392..603ad180 100644 --- a/static/data/abs/oh_U-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/oh_U-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/oh_U-CCSD_aug-cc-pVTZ.dat b/static/data/abs/oh_U-CCSD_aug-cc-pVTZ.dat index 0db1fa54..02f09111 100644 --- a/static/data/abs/oh_U-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/oh_U-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ph2_RO-CC3_aug-cc-pVTZ.dat b/static/data/abs/ph2_RO-CC3_aug-cc-pVTZ.dat index 43dfedc2..2afa0b9b 100644 --- a/static/data/abs/ph2_RO-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/ph2_RO-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ph2_RO-CCSD_aug-cc-pVTZ.dat b/static/data/abs/ph2_RO-CCSD_aug-cc-pVTZ.dat index 31b84d43..d8abdcd0 100644 --- a/static/data/abs/ph2_RO-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/ph2_RO-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ph2_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/ph2_TBE(FC)_aug-cc-pVTZ.dat index f403e445..3bc8f919 100644 --- a/static/data/abs/ph2_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/ph2_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ph2_U-CC3_aug-cc-pVTZ.dat b/static/data/abs/ph2_U-CC3_aug-cc-pVTZ.dat index 8339f1c1..08b15ac3 100644 --- a/static/data/abs/ph2_U-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/ph2_U-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/ph2_U-CCSD_aug-cc-pVTZ.dat b/static/data/abs/ph2_U-CCSD_aug-cc-pVTZ.dat index 9904fd77..0beb495e 100644 --- a/static/data/abs/ph2_U-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/ph2_U-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/sicl2_ADC(2)_aug-cc-pVTZ.dat index e5ad0c2f..640fcc5d 100644 --- a/static/data/abs/sicl2_ADC(2)_aug-cc-pVTZ.dat +++ b/static/data/abs/sicl2_ADC(2)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/sicl2_ADC(2.5)_aug-cc-pVTZ.dat index 45fda91d..ea313d1a 100644 --- a/static/data/abs/sicl2_ADC(2.5)_aug-cc-pVTZ.dat +++ b/static/data/abs/sicl2_ADC(2.5)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2.5),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/sicl2_ADC(3)_aug-cc-pVTZ.dat index 83f67e6c..df2bd3e8 100644 --- a/static/data/abs/sicl2_ADC(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/sicl2_ADC(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_CC2_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CC2_aug-cc-pVTZ.dat index 60e1cee0..4360282b 100644 --- a/static/data/abs/sicl2_CC2_aug-cc-pVTZ.dat +++ b/static/data/abs/sicl2_CC2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_CC3(FC)_6-31+G(d).dat b/static/data/abs/sicl2_CC3(FC)_6-31+G(d).dat index 5f14e253..75b9660c 100644 --- a/static/data/abs/sicl2_CC3(FC)_6-31+G(d).dat +++ b/static/data/abs/sicl2_CC3(FC)_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_CC3(FC)_aug-cc-pV5Z.dat b/static/data/abs/sicl2_CC3(FC)_aug-cc-pV5Z.dat index 6b25b543..9592e74b 100644 --- a/static/data/abs/sicl2_CC3(FC)_aug-cc-pV5Z.dat +++ b/static/data/abs/sicl2_CC3(FC)_aug-cc-pV5Z.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pV5Z # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/sicl2_CC3(FC)_aug-cc-pVDZ.dat index 167e8ae1..eef4d1e2 100644 --- a/static/data/abs/sicl2_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/sicl2_CC3(FC)_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/sicl2_CC3(FC)_aug-cc-pVQZ.dat index c4d660b0..6fe8ab6f 100644 --- a/static/data/abs/sicl2_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/sicl2_CC3(FC)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CC3(FC)_aug-cc-pVTZ.dat index ab708f26..2f586bf4 100644 --- a/static/data/abs/sicl2_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/sicl2_CC3(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/sicl2_CC3(Full)_aug-cc-pCVQZ.dat index 5b35cecc..41f1146c 100644 --- a/static/data/abs/sicl2_CC3(Full)_aug-cc-pCVQZ.dat +++ b/static/data/abs/sicl2_CC3(Full)_aug-cc-pCVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(Full),aug-cc-pCVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/sicl2_CC3(Full)_aug-cc-pVQZ.dat index cdc8b4d2..a9b2f026 100644 --- a/static/data/abs/sicl2_CC3(Full)_aug-cc-pVQZ.dat +++ b/static/data/abs/sicl2_CC3(Full)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(Full),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_CC3(SC)_aug-cc-pVQZ.dat b/static/data/abs/sicl2_CC3(SC)_aug-cc-pVQZ.dat index b7f4c834..ac78a709 100644 --- a/static/data/abs/sicl2_CC3(SC)_aug-cc-pVQZ.dat +++ b/static/data/abs/sicl2_CC3(SC)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(SC),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_CC3_6-31+G(d).dat b/static/data/abs/sicl2_CC3_6-31+G(d).dat index 4f128d56..51652d98 100644 --- a/static/data/abs/sicl2_CC3_6-31+G(d).dat +++ b/static/data/abs/sicl2_CC3_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_CC3_aug-cc-pVDZ.dat b/static/data/abs/sicl2_CC3_aug-cc-pVDZ.dat index b5266b53..847842de 100644 --- a/static/data/abs/sicl2_CC3_aug-cc-pVDZ.dat +++ b/static/data/abs/sicl2_CC3_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_CC3_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CC3_aug-cc-pVTZ.dat index c1518d66..faa477c1 100644 --- a/static/data/abs/sicl2_CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/sicl2_CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CCSDR(3)_aug-cc-pVTZ.dat index 7d5ef4c1..e8fbce40 100644 --- a/static/data/abs/sicl2_CCSDR(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/sicl2_CCSDR(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDR(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CCSDT-3_aug-cc-pVTZ.dat index 858595be..89cee543 100644 --- a/static/data/abs/sicl2_CCSDT-3_aug-cc-pVTZ.dat +++ b/static/data/abs/sicl2_CCSDT-3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT-3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_CCSDTQ_6-31+G(d).dat b/static/data/abs/sicl2_CCSDTQ_6-31+G(d).dat index a1fdbd4c..927dcdfb 100644 --- a/static/data/abs/sicl2_CCSDTQ_6-31+G(d).dat +++ b/static/data/abs/sicl2_CCSDTQ_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQ,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_CCSDT_6-31+G(d).dat b/static/data/abs/sicl2_CCSDT_6-31+G(d).dat index f1e52650..1db8ab23 100644 --- a/static/data/abs/sicl2_CCSDT_6-31+G(d).dat +++ b/static/data/abs/sicl2_CCSDT_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/sicl2_CCSDT_aug-cc-pVDZ.dat index 474546be..fd137375 100644 --- a/static/data/abs/sicl2_CCSDT_aug-cc-pVDZ.dat +++ b/static/data/abs/sicl2_CCSDT_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CCSDT_aug-cc-pVTZ.dat index 318363eb..285b866c 100644 --- a/static/data/abs/sicl2_CCSDT_aug-cc-pVTZ.dat +++ b/static/data/abs/sicl2_CCSDT_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_CCSD_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CCSD_aug-cc-pVTZ.dat index 77182aa4..ea9a432d 100644 --- a/static/data/abs/sicl2_CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/sicl2_CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CIS(D)_aug-cc-pVTZ.dat index bc65b919..26be6d45 100644 --- a/static/data/abs/sicl2_CIS(D)_aug-cc-pVTZ.dat +++ b/static/data/abs/sicl2_CIS(D)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CIS(D),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/sicl2_EOM-MP2_aug-cc-pVTZ.dat index 896300ed..f7d35c3a 100644 --- a/static/data/abs/sicl2_EOM-MP2_aug-cc-pVTZ.dat +++ b/static/data/abs/sicl2_EOM-MP2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : EOM-MP2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_FCI_aug-cc-pVDZ.dat b/static/data/abs/sicl2_FCI_aug-cc-pVDZ.dat index 5029024e..f69ea77c 100644 --- a/static/data/abs/sicl2_FCI_aug-cc-pVDZ.dat +++ b/static/data/abs/sicl2_FCI_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : FCI,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_FCI_aug-cc-pVTZ.dat b/static/data/abs/sicl2_FCI_aug-cc-pVTZ.dat index a4153a2e..0f2daa6e 100644 --- a/static/data/abs/sicl2_FCI_aug-cc-pVTZ.dat +++ b/static/data/abs/sicl2_FCI_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : FCI,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat index 26cee05c..a9d8fa16 100644 --- a/static/data/abs/sicl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/sicl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SCS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat index 46fac508..949acb1b 100644 --- a/static/data/abs/sicl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat +++ b/static/data/abs/sicl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [QM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat index 2f5f7bac..0fdeed94 100644 --- a/static/data/abs/sicl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/sicl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat index 7ce036ca..8190cf1c 100644 --- a/static/data/abs/sicl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/sicl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/sicl2_STEOM-CCSD_aug-cc-pVTZ.dat index 6d9934c4..08b223fa 100644 --- a/static/data/abs/sicl2_STEOM-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/sicl2_STEOM-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : STEOM-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/sicl2_TBE(FC)_aug-cc-pVTZ.dat index e7908a49..8a1d9e7a 100644 --- a/static/data/abs/sicl2_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/sicl2_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/sicl2_TBE_CBS.dat b/static/data/abs/sicl2_TBE_CBS.dat index e166dcec..bf32620f 100644 --- a/static/data/abs/sicl2_TBE_CBS.dat +++ b/static/data/abs/sicl2_TBE_CBS.dat @@ -3,7 +3,7 @@ # code : # method : TBE,CBS # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/silylidene_ADC(2)_aug-cc-pVTZ.dat index 9669ec9a..73d3f613 100644 --- a/static/data/abs/silylidene_ADC(2)_aug-cc-pVTZ.dat +++ b/static/data/abs/silylidene_ADC(2)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/silylidene_ADC(2.5)_aug-cc-pVTZ.dat index 3de22341..d372395d 100644 --- a/static/data/abs/silylidene_ADC(2.5)_aug-cc-pVTZ.dat +++ b/static/data/abs/silylidene_ADC(2.5)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2.5),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/silylidene_ADC(3)_aug-cc-pVTZ.dat index a4753902..3dba5299 100644 --- a/static/data/abs/silylidene_ADC(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/silylidene_ADC(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : ADC(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_CC2_aug-cc-pVTZ.dat b/static/data/abs/silylidene_CC2_aug-cc-pVTZ.dat index a78281cf..3f6759a5 100644 --- a/static/data/abs/silylidene_CC2_aug-cc-pVTZ.dat +++ b/static/data/abs/silylidene_CC2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_CC3(FC)_6-31+G(d).dat b/static/data/abs/silylidene_CC3(FC)_6-31+G(d).dat index 5178fbfb..d581050f 100644 --- a/static/data/abs/silylidene_CC3(FC)_6-31+G(d).dat +++ b/static/data/abs/silylidene_CC3(FC)_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_CC3(FC)_aug-cc-pV5Z.dat b/static/data/abs/silylidene_CC3(FC)_aug-cc-pV5Z.dat index a5ad50dc..4402e52b 100644 --- a/static/data/abs/silylidene_CC3(FC)_aug-cc-pV5Z.dat +++ b/static/data/abs/silylidene_CC3(FC)_aug-cc-pV5Z.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pV5Z # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_CC3(FC)_aug-cc-pVDZ.dat b/static/data/abs/silylidene_CC3(FC)_aug-cc-pVDZ.dat index e0a616e9..89f3e55d 100644 --- a/static/data/abs/silylidene_CC3(FC)_aug-cc-pVDZ.dat +++ b/static/data/abs/silylidene_CC3(FC)_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_CC3(FC)_aug-cc-pVQZ.dat b/static/data/abs/silylidene_CC3(FC)_aug-cc-pVQZ.dat index cf8f9e7d..7dd4098f 100644 --- a/static/data/abs/silylidene_CC3(FC)_aug-cc-pVQZ.dat +++ b/static/data/abs/silylidene_CC3(FC)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_CC3(FC)_aug-cc-pVTZ.dat b/static/data/abs/silylidene_CC3(FC)_aug-cc-pVTZ.dat index eeee6a69..05e975fc 100644 --- a/static/data/abs/silylidene_CC3(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/silylidene_CC3(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/silylidene_CC3(Full)_aug-cc-pCVQZ.dat index 88cf502d..d290c033 100644 --- a/static/data/abs/silylidene_CC3(Full)_aug-cc-pCVQZ.dat +++ b/static/data/abs/silylidene_CC3(Full)_aug-cc-pCVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(Full),aug-cc-pCVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/silylidene_CC3(Full)_aug-cc-pVQZ.dat index c12b595a..afe2c539 100644 --- a/static/data/abs/silylidene_CC3(Full)_aug-cc-pVQZ.dat +++ b/static/data/abs/silylidene_CC3(Full)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(Full),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_CC3(SC)_aug-cc-pVQZ.dat b/static/data/abs/silylidene_CC3(SC)_aug-cc-pVQZ.dat index 5ec6fd75..f65911e6 100644 --- a/static/data/abs/silylidene_CC3(SC)_aug-cc-pVQZ.dat +++ b/static/data/abs/silylidene_CC3(SC)_aug-cc-pVQZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3(SC),aug-cc-pVQZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_CC3_6-31+G(d).dat b/static/data/abs/silylidene_CC3_6-31+G(d).dat index 327170f7..581e9131 100644 --- a/static/data/abs/silylidene_CC3_6-31+G(d).dat +++ b/static/data/abs/silylidene_CC3_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CC3,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_CC3_aug-cc-pVDZ.dat b/static/data/abs/silylidene_CC3_aug-cc-pVDZ.dat index 84e3d5c4..82651363 100644 --- a/static/data/abs/silylidene_CC3_aug-cc-pVDZ.dat +++ b/static/data/abs/silylidene_CC3_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_CC3_aug-cc-pVTZ.dat b/static/data/abs/silylidene_CC3_aug-cc-pVTZ.dat index 21509271..7813a5d0 100644 --- a/static/data/abs/silylidene_CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/silylidene_CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/silylidene_CCSDR(3)_aug-cc-pVTZ.dat index 36ef84ac..9e78db8f 100644 --- a/static/data/abs/silylidene_CCSDR(3)_aug-cc-pVTZ.dat +++ b/static/data/abs/silylidene_CCSDR(3)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDR(3),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/silylidene_CCSDT-3_aug-cc-pVTZ.dat index 7037d8d5..4f442bce 100644 --- a/static/data/abs/silylidene_CCSDT-3_aug-cc-pVTZ.dat +++ b/static/data/abs/silylidene_CCSDT-3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT-3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_CCSDTQP_6-31+G(d).dat b/static/data/abs/silylidene_CCSDTQP_6-31+G(d).dat index 5a5d663f..e17637e2 100644 --- a/static/data/abs/silylidene_CCSDTQP_6-31+G(d).dat +++ b/static/data/abs/silylidene_CCSDTQP_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQP,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_CCSDTQ_6-31+G(d).dat b/static/data/abs/silylidene_CCSDTQ_6-31+G(d).dat index 95e4d6c8..2f5bdb0f 100644 --- a/static/data/abs/silylidene_CCSDTQ_6-31+G(d).dat +++ b/static/data/abs/silylidene_CCSDTQ_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQ,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/silylidene_CCSDTQ_aug-cc-pVDZ.dat index 60e7c0d8..a3ca1287 100644 --- a/static/data/abs/silylidene_CCSDTQ_aug-cc-pVDZ.dat +++ b/static/data/abs/silylidene_CCSDTQ_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQ,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_CCSDTQ_aug-cc-pVTZ.dat b/static/data/abs/silylidene_CCSDTQ_aug-cc-pVTZ.dat index 112a894a..8b37fc54 100644 --- a/static/data/abs/silylidene_CCSDTQ_aug-cc-pVTZ.dat +++ b/static/data/abs/silylidene_CCSDTQ_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDTQ,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_CCSDT_6-31+G(d).dat b/static/data/abs/silylidene_CCSDT_6-31+G(d).dat index 4cfc1073..c127a2f5 100644 --- a/static/data/abs/silylidene_CCSDT_6-31+G(d).dat +++ b/static/data/abs/silylidene_CCSDT_6-31+G(d).dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,6-31+G(d) # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/silylidene_CCSDT_aug-cc-pVDZ.dat index 17de57c5..2f5afce7 100644 --- a/static/data/abs/silylidene_CCSDT_aug-cc-pVDZ.dat +++ b/static/data/abs/silylidene_CCSDT_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/silylidene_CCSDT_aug-cc-pVTZ.dat index a219f95c..9d57a209 100644 --- a/static/data/abs/silylidene_CCSDT_aug-cc-pVTZ.dat +++ b/static/data/abs/silylidene_CCSDT_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSDT,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_CCSD_aug-cc-pVTZ.dat b/static/data/abs/silylidene_CCSD_aug-cc-pVTZ.dat index e176e556..23e9ee81 100644 --- a/static/data/abs/silylidene_CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/silylidene_CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/silylidene_CIS(D)_aug-cc-pVTZ.dat index f6f46d22..1f06eac7 100644 --- a/static/data/abs/silylidene_CIS(D)_aug-cc-pVTZ.dat +++ b/static/data/abs/silylidene_CIS(D)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : CIS(D),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/silylidene_EOM-MP2_aug-cc-pVTZ.dat index 1b43cc65..3ca0fc1f 100644 --- a/static/data/abs/silylidene_EOM-MP2_aug-cc-pVTZ.dat +++ b/static/data/abs/silylidene_EOM-MP2_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : EOM-MP2,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_FCI_aug-cc-pVDZ.dat b/static/data/abs/silylidene_FCI_aug-cc-pVDZ.dat index f039594c..1264064b 100644 --- a/static/data/abs/silylidene_FCI_aug-cc-pVDZ.dat +++ b/static/data/abs/silylidene_FCI_aug-cc-pVDZ.dat @@ -3,7 +3,7 @@ # code : # method : FCI,aug-cc-pVDZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_FCI_aug-cc-pVTZ.dat b/static/data/abs/silylidene_FCI_aug-cc-pVTZ.dat index f19a88d0..06d381c5 100644 --- a/static/data/abs/silylidene_FCI_aug-cc-pVTZ.dat +++ b/static/data/abs/silylidene_FCI_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : FCI,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/silylidene_SCS-CC2 [TM]_aug-cc-pVTZ.dat index 09dceb8c..ebd56592 100644 --- a/static/data/abs/silylidene_SCS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/silylidene_SCS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SCS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/silylidene_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat index c315fefa..d7d013e1 100644 --- a/static/data/abs/silylidene_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat +++ b/static/data/abs/silylidene_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [QM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/silylidene_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat index 9ec5b8a2..d820dc7c 100644 --- a/static/data/abs/silylidene_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/silylidene_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-ADC(2) [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/silylidene_SOS-CC2 [TM]_aug-cc-pVTZ.dat index 25834f11..0b686f27 100644 --- a/static/data/abs/silylidene_SOS-CC2 [TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/silylidene_SOS-CC2 [TM]_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : SOS-CC2 [TM],aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/silylidene_STEOM-CCSD_aug-cc-pVTZ.dat index 86afc6bd..9f3962ee 100644 --- a/static/data/abs/silylidene_STEOM-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/silylidene_STEOM-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : STEOM-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/silylidene_TBE(FC)_aug-cc-pVTZ.dat index 1ab69fb1..a05d416c 100644 --- a/static/data/abs/silylidene_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/silylidene_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/silylidene_TBE_CBS.dat b/static/data/abs/silylidene_TBE_CBS.dat index 51373e03..46220c9b 100644 --- a/static/data/abs/silylidene_TBE_CBS.dat +++ b/static/data/abs/silylidene_TBE_CBS.dat @@ -3,7 +3,7 @@ # code : # method : TBE,CBS # geom : -# DOI : 10.1007/s10686-008-9119-4 +# DOI : 10.1021/acs.jctc.0c00227 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/vinyl_RO-CC3_aug-cc-pVTZ.dat b/static/data/abs/vinyl_RO-CC3_aug-cc-pVTZ.dat index 95a117b6..c491401e 100644 --- a/static/data/abs/vinyl_RO-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/vinyl_RO-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/vinyl_RO-CCSD_aug-cc-pVTZ.dat b/static/data/abs/vinyl_RO-CCSD_aug-cc-pVTZ.dat index 00d2f4ea..04a9a4c0 100644 --- a/static/data/abs/vinyl_RO-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/vinyl_RO-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : RO-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/vinyl_TBE(FC)_aug-cc-pVTZ.dat b/static/data/abs/vinyl_TBE(FC)_aug-cc-pVTZ.dat index 3baab021..fc13535c 100644 --- a/static/data/abs/vinyl_TBE(FC)_aug-cc-pVTZ.dat +++ b/static/data/abs/vinyl_TBE(FC)_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : TBE(FC),aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/vinyl_U-CC3_aug-cc-pVTZ.dat b/static/data/abs/vinyl_U-CC3_aug-cc-pVTZ.dat index 5acdcabe..d4f4fd52 100644 --- a/static/data/abs/vinyl_U-CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/vinyl_U-CC3_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CC3,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/vinyl_U-CCSD_aug-cc-pVTZ.dat b/static/data/abs/vinyl_U-CCSD_aug-cc-pVTZ.dat index 33f32d60..c1c091d7 100644 --- a/static/data/abs/vinyl_U-CCSD_aug-cc-pVTZ.dat +++ b/static/data/abs/vinyl_U-CCSD_aug-cc-pVTZ.dat @@ -3,7 +3,7 @@ # code : # method : U-CCSD,aug-cc-pVTZ # geom : -# DOI : 10.1007/s10686-008-9119-4,true +# DOI : 10.1021/acs.jctc.0c00227,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/publis.yaml b/static/data/publis.yaml index 6f34cc60..93b81c6e 100644 --- a/static/data/publis.yaml +++ b/static/data/publis.yaml @@ -2,7 +2,7 @@ sets: 10.1021/acs.jctc.8b00406 : QUEST#1 10.1021/acs.jctc.8b01205 : QUEST#2 10.1021/acs.jctc.9b01216 : QUEST#3 - 10.1007/s10686-008-9119-4 : QUEST#4 + 10.1021/acs.jctc.0c00227 : QUEST#4 10.1021/acs.jpclett.8b02058 : set 3 10.1021/acs.jctc.8b01103 : set 4 others: