.. |
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)_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)_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 |