PTEROSOR/QUESTDB_website
10
0
Fork 0
mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-11-04 13:13:55 +01:00
Code Releases Activity
b717bd302b
QUESTDB_website/static/data/fluo
History
Mickaël Véril a15ed69954 Add QUEST#3 ADC(2.5) data
2020-09-23 18:42:28 +02:00
..
acetylene_ADC(2.5)_aug-cc-pVTZ_addon.dat Add fluorescence data for ADC(2.5) QUEST#1 2020-09-23 18:39:26 +02:00
acetylene_ADC(2.5)_aug-cc-pVTZ.dat Add fluorescence data for ADC(2.5) QUEST#1 2020-09-23 18:39:26 +02:00
acetylene_ADC(2)_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_ADC(2)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_ADC(3)_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_ADC(3)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_CC2_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_CC2_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_CC3_6-31+G(d).dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_CC3_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_CC3_aug-cc-pVQZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_CC3_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_CC3_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_CC3_d-aug-cc-pVQZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_CC3(Full)_aug-cc-pV5Z.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_CC3(Full)_aug-cc-pVQZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_CC3(Full)_d-aug-cc-pV5Z.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_CC3(Full)_d-aug-cc-pVQZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_CCSD_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_CCSDR(3)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_CCSDT_6-31+G(d).dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_CCSDT_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_CCSDT_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_CCSDT-3_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_CCSDTQ_6-31+G(d).dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_CCSDTQ_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_CCSDTQ_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_CIS(D)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_CIS(D∞)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_FCI_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_FCI_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_STEOM-CCSD_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_TBE_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
acetylene_TBE(Full)_CBS.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanoacetylene_ADC(2.5)_aug-cc-pVTZ_addon.dat Add QUEST#3 ADC(2.5) data 2020-09-23 18:42:28 +02:00
cyanoacetylene_ADC(2)_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanoacetylene_ADC(2)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanoacetylene_ADC(3)_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanoacetylene_CC2_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanoacetylene_CC2_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanoacetylene_CC3_6-31+G(d).dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanoacetylene_CC3_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanoacetylene_CC3_aug-cc-pVQZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanoacetylene_CC3_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanoacetylene_CC3_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanoacetylene_CC3(Full)_aug-cc-pVQZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanoacetylene_CCSD_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanoacetylene_CCSDR(3)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanoacetylene_CCSDT_6-31+G(d).dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanoacetylene_CCSDT_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanoacetylene_CCSDT_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanoacetylene_CCSDT-3_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanoacetylene_CCSDTQ_6-31+G(d).dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanoacetylene_CCSDTQ_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanoacetylene_CIS(D)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanoacetylene_FCI_6-31+G(d).dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanoacetylene_FCI_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanoacetylene_NEVPT2_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanoacetylene_STEOM-CCSD_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanoacetylene_TBE_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanoacetylene_TBE(Full)_CBS.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_ADC(2.5)_aug-cc-pVTZ_addon.dat Add QUEST#3 ADC(2.5) data 2020-09-23 18:42:28 +02:00
cyanogen_ADC(2)_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_ADC(2)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_ADC(3)_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_CC2_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_CC2_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_CC3_6-31+G(d).dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_CC3_aug-cc-pV5Z.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_CC3_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_CC3_aug-cc-pVQZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_CC3_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_CC3_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_CC3_d-aug-cc-pVQZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_CC3(Full)_aug-cc-pVQZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_CC3(Full)_d-aug-cc-pVQZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_CCSD_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_CCSDR(3)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_CCSDT_6-31+G(d).dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_CCSDT_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_CCSDT_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_CCSDT-3_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_CCSDTQ_6-31+G(d).dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_CCSDTQ_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_CIS(D)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_FCI_6-31+G(d).dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_FCI_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_STEOM-CCSD_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_TBE_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
cyanogen_TBE(Full)_CBS.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
diazomethane_ADC(2.5)_aug-cc-pVTZ_addon.dat Add fluorescence data for ADC(2.5) QUEST#1 2020-09-23 18:39:26 +02:00
diazomethane_ADC(2.5)_aug-cc-pVTZ.dat Add fluorescence data for ADC(2.5) QUEST#1 2020-09-23 18:39:26 +02:00
diazomethane_ADC(2)_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
diazomethane_ADC(2)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
diazomethane_ADC(3)_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
diazomethane_ADC(3)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
diazomethane_CC2_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
diazomethane_CC2_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
diazomethane_CC3_6-31+G(d).dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
diazomethane_CC3_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
diazomethane_CC3_aug-cc-pVQZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
diazomethane_CC3_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
diazomethane_CC3_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
diazomethane_CC3(Full)_aug-cc-pVQZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
diazomethane_CC3(Full)_d-aug-cc-pVQZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
diazomethane_CCSD_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
diazomethane_CCSDR(3)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
diazomethane_CCSDT_6-31+G(d).dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
diazomethane_CCSDT_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
diazomethane_CCSDT_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
diazomethane_CCSDT-3_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
diazomethane_CIS(D)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
diazomethane_CIS(D∞)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
diazomethane_FCI_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
diazomethane_FCI_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
diazomethane_STEOM-CCSD_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
diazomethane_TBE_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
diazomethane_TBE(Full)_CBS.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_ADC(2.5)_aug-cc-pVTZ_addon.dat Add fluorescence data for ADC(2.5) QUEST#1 2020-09-23 18:39:26 +02:00
formaldehyde_ADC(2.5)_aug-cc-pVTZ.dat Add fluorescence data for ADC(2.5) QUEST#1 2020-09-23 18:39:26 +02:00
formaldehyde_ADC(2)_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_ADC(2)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_ADC(3)_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_ADC(3)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_CC2_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_CC2_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_CC3_6-31+G(d).dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_CC3_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_CC3_aug-cc-pVQZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_CC3_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_CC3_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_CC3_d-aug-cc-pVQZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_CC3(Full)_aug-cc-pV5Z.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_CC3(Full)_aug-cc-pVQZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_CC3(Full)_d-aug-cc-pV5Z.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_CC3(Full)_d-aug-cc-pVQZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_CCSD_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_CCSDR(3)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_CCSDT_6-31+G(d).dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_CCSDT_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_CCSDT_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_CCSDT-3_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_CCSDTQ_6-31+G(d).dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_CCSDTQ_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_CCSDTQ_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_CIS(D)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_CIS(D∞)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_FCI_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_FCI_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_TBE_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
formaldehyde_TBE(Full)_CBS.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
ketene_ADC(2.5)_aug-cc-pVTZ_addon.dat Add fluorescence data for ADC(2.5) QUEST#1 2020-09-23 18:39:26 +02:00
ketene_ADC(2.5)_aug-cc-pVTZ.dat Add fluorescence data for ADC(2.5) QUEST#1 2020-09-23 18:39:26 +02:00
ketene_ADC(2)_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
ketene_ADC(2)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
ketene_ADC(3)_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
ketene_ADC(3)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
ketene_CC2_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
ketene_CC2_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
ketene_CC3_6-31+G(d).dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
ketene_CC3_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
ketene_CC3_aug-cc-pVQZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
ketene_CC3_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
ketene_CC3_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
ketene_CC3(Full)_aug-cc-pVQZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
ketene_CC3(Full)_d-aug-cc-pVQZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
ketene_CCSD_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
ketene_CCSDR(3)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
ketene_CCSDT_6-31+G(d).dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
ketene_CCSDT_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
ketene_CCSDT_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
ketene_CCSDT-3_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
ketene_CIS(D)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
ketene_CIS(D∞)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
ketene_FCI_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
ketene_FCI_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
ketene_STEOM-CCSD_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
ketene_TBE_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
ketene_TBE(Full)_CBS.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
nitrosomethane_ADC(2.5)_aug-cc-pVTZ_addon.dat Add fluorescence data for ADC(2.5) QUEST#1 2020-09-23 18:39:26 +02:00
nitrosomethane_ADC(2.5)_aug-cc-pVTZ.dat Add fluorescence data for ADC(2.5) QUEST#1 2020-09-23 18:39:26 +02:00
nitrosomethane_ADC(2)_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
nitrosomethane_ADC(2)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
nitrosomethane_ADC(3)_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
nitrosomethane_ADC(3)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
nitrosomethane_CC2_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
nitrosomethane_CC2_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
nitrosomethane_CC3_6-31+G(d).dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
nitrosomethane_CC3_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
nitrosomethane_CC3_aug-cc-pVQZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
nitrosomethane_CC3_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
nitrosomethane_CC3_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
nitrosomethane_CC3(Full)_aug-cc-pVQZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
nitrosomethane_CCSD_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
nitrosomethane_CCSDR(3)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
nitrosomethane_CCSDT_6-31+G(d).dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
nitrosomethane_CCSDT_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
nitrosomethane_CCSDT_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
nitrosomethane_CCSDT-3_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
nitrosomethane_CIS(D)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
nitrosomethane_CIS(D∞)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
nitrosomethane_FCI_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
nitrosomethane_FCI_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
nitrosomethane_STEOM-CCSD_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
nitrosomethane_TBE_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
nitrosomethane_TBE(Full)_CBS.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_ADC(2.5)_aug-cc-pVTZ_addon.dat Add fluorescence data for ADC(2.5) QUEST#1 2020-09-23 18:39:26 +02:00
thioformaldehyde_ADC(2.5)_aug-cc-pVTZ.dat Add fluorescence data for ADC(2.5) QUEST#1 2020-09-23 18:39:26 +02:00
thioformaldehyde_ADC(2)_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_ADC(2)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_ADC(3)_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_ADC(3)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_CC2_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_CC2_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_CC3_6-31+G(d).dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_CC3_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_CC3_aug-cc-pVQZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_CC3_aug-cc-pVTZ_addon.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_CC3_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_CC3_d-aug-cc-pVQZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_CC3(Full)_aug-cc-pV5Z.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_CC3(Full)_aug-cc-pVQZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_CC3(Full)_d-aug-cc-pVQZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_CCSD_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_CCSDR(3)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_CCSDT_6-31+G(d).dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_CCSDT_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_CCSDT_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_CCSDT-3_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_CCSDTQ_6-31+G(d).dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_CCSDTQ_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_CCSDTQ_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_CIS(D)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_CIS(D∞)_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_FCI_aug-cc-pVDZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_FCI_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_TBE_aug-cc-pVTZ.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00
thioformaldehyde_TBE(Full)_CBS.dat Oscilator forces becomes Oscilator strenght 2020-09-22 10:05:05 +02:00