.. |
acetylene_CC3_aug-cc-pVTZ.dat
|
Add acetylene files
|
2019-11-17 14:25:25 +01:00 |
acetylene_CCSDT_aug-cc-pVTZ.dat
|
Add acetylene files
|
2019-11-17 14:25:25 +01:00 |
acetylene_CCSDTQ_aug-cc-pVDZ.dat
|
Add acetylene files
|
2019-11-17 14:25:25 +01:00 |
acetylene_exFCI_aug-cc-pVDZ.dat
|
Add acetylene files
|
2019-11-17 14:25:25 +01:00 |
acetylene_exFCI_aug-cc-pVTZ.dat
|
Add acetylene files
|
2019-11-17 14:25:25 +01:00 |
acetylene_exp.dat
|
Add acetylene files
|
2019-11-17 14:25:25 +01:00 |
ammonia_CC3_aug-cc-pVDZ.dat
|
Add ammonia abs data
|
2019-10-07 17:51:12 +02:00 |
ammonia_CC3_aug-cc-pVQZ.dat
|
Add ammonia abs data
|
2019-10-07 17:51:12 +02:00 |
ammonia_CC3_aug-cc-pVTZ.dat
|
Add ammonia abs data
|
2019-10-07 17:51:12 +02:00 |
ammonia_CCSDT_aug-cc-pVDZ.dat
|
Add ammonia abs data
|
2019-10-07 17:51:12 +02:00 |
ammonia_CCSDT_aug-cc-pVQZ.dat
|
Add ammonia abs data
|
2019-10-07 17:51:12 +02:00 |
ammonia_CCSDT_aug-cc-pVTZ.dat
|
Add ammonia abs data
|
2019-10-07 17:51:12 +02:00 |
ammonia_CCSDTQ_aug-cc-pVDZ.dat
|
Add ammonia abs data
|
2019-10-07 17:51:12 +02:00 |
ammonia_CCSDTQ_aug-cc-pVTZ.dat
|
Add ammonia abs data
|
2019-10-07 17:51:12 +02:00 |
ammonia_CCSDTQP_aug-cc-pVDZ.dat
|
Add ammonia abs data
|
2019-10-07 17:51:12 +02:00 |
ammonia_exFCI_aug-cc-pVDZ.dat
|
Add ammonia abs data
|
2019-10-07 17:51:12 +02:00 |
ammonia_exFCI_aug-cc-pVQZ.dat
|
Add ammonia abs data
|
2019-10-07 17:51:12 +02:00 |
ammonia_exFCI_aug-cc-pVTZ.dat
|
Add ammonia abs data
|
2019-10-07 17:51:12 +02:00 |
ammonia_exp.dat
|
Add ammonia abs data
|
2019-10-07 17:51:12 +02:00 |
carbon_monoxide_CC3_aug-cc-pVQZ.dat
|
Add data for carbon monoxide
|
2019-11-12 20:07:36 +01:00 |
carbon_monoxide_CC3_aug-cc-pVTZ.dat
|
Add data for carbon monoxide
|
2019-11-12 20:07:36 +01:00 |
carbon_monoxide_CCSDT_aug-cc-pVQZ.dat
|
Add data for carbon monoxide
|
2019-11-12 20:07:36 +01:00 |
carbon_monoxide_CCSDT_aug-cc-pVTZ.dat
|
Add data for carbon monoxide
|
2019-11-12 20:07:36 +01:00 |
carbon_monoxide_CCSDTQ_aug-cc-pVDZ.dat
|
Add data for carbon monoxide
|
2019-11-12 20:07:36 +01:00 |
carbon_monoxide_CCSDTQ_aug-cc-pVTZ.dat
|
Add data for carbon monoxide
|
2019-11-12 20:07:36 +01:00 |
carbon_monoxide_CCSDTQP_aug-cc-pVDZ.dat
|
Add data for carbon monoxide
|
2019-11-12 20:07:36 +01:00 |
carbon_monoxide_exFCI_aug-cc-pVDZ.dat
|
Add data for carbon monoxide
|
2019-11-12 20:07:36 +01:00 |
carbon_monoxide_exFCI_aug-cc-pVQZ.dat
|
Add data for carbon monoxide
|
2019-11-12 20:07:36 +01:00 |
carbon_monoxide_exFCI_aug-cc-pVTZ.dat
|
Add data for carbon monoxide
|
2019-11-12 20:07:36 +01:00 |
carbon_monoxide_exp..dat
|
Add data for carbon monoxide
|
2019-11-12 20:07:36 +01:00 |
dinitrogen_CC3_aug-cc-pVQZ.dat
|
Add missing metadatas for dinitrogen
|
2019-11-12 19:25:21 +01:00 |
dinitrogen_CC3_aug-cc-pVTZ.dat
|
Add missing metadatas for dinitrogen
|
2019-11-12 19:25:21 +01:00 |
dinitrogen_CCSDT_aug-cc-pVQZ.dat
|
Add missing metadatas for dinitrogen
|
2019-11-12 19:25:21 +01:00 |
dinitrogen_CCSDT_aug-cc-pVTZ.dat
|
Add missing metadatas for dinitrogen
|
2019-11-12 19:25:21 +01:00 |
dinitrogen_CCSDTQ_aug-cc-pVDZ.dat
|
Add missing metadatas for dinitrogen
|
2019-11-12 19:25:21 +01:00 |
dinitrogen_CCSDTQ_aug-cc-pVTZ.dat
|
Add missing metadatas for dinitrogen
|
2019-11-12 19:25:21 +01:00 |
dinitrogen_CCSDTQP_aug-cc-pVDZ.dat
|
Add missing metadatas for dinitrogen
|
2019-11-12 19:25:21 +01:00 |
dinitrogen_exFCI_aug-cc-pVDZ.dat
|
Add missing metadatas for dinitrogen
|
2019-11-12 19:25:21 +01:00 |
dinitrogen_exFCI_aug-cc-pVQZ.dat
|
Add missing metadatas for dinitrogen
|
2019-11-12 19:25:21 +01:00 |
dinitrogen_exFCI_aug-cc-pVTZ.dat
|
Add missing metadatas for dinitrogen
|
2019-11-12 19:25:21 +01:00 |
dinitrogen_exp..dat
|
keep only one exp
|
2019-11-12 19:20:59 +01:00 |
ethylene_CC3_aug-cc-pVTZ.dat
|
Add ethylene data
|
2019-11-17 14:26:54 +01:00 |
ethylene_CCSDT_aug-cc-pVTZ.dat
|
Add missing coode for ethylene
|
2019-11-17 14:49:11 +01:00 |
ethylene_CCSDTQ_aug-cc-pVDZ.dat
|
Add missing coode for ethylene
|
2019-11-17 14:49:11 +01:00 |
ethylene_exFCI_aug-cc-pVDZ.dat
|
Add missing coode for ethylene
|
2019-11-17 14:49:11 +01:00 |
ethylene_exFCI_aug-cc-pVTZ.dat
|
Add missing coode for ethylene
|
2019-11-17 14:49:11 +01:00 |
ethylene_exp..dat
|
Add ethylene data
|
2019-11-17 14:26:54 +01:00 |
formaldehyde_CC3_aug-cc-pVTZ.dat
|
Add formaldehyde absorption data
|
2019-11-17 16:25:02 +01:00 |
formaldehyde_CCSDT_aug-cc-pVTZ.dat
|
Add formaldehyde absorption data
|
2019-11-17 16:25:02 +01:00 |
formaldehyde_CCSDTQ_aug-cc-pVDZ.dat
|
Add formaldehyde absorption data
|
2019-11-17 16:25:02 +01:00 |
formaldehyde_exFCI_aug-cc-pVDZ.dat
|
Add formaldehyde absorption data
|
2019-11-17 16:25:02 +01:00 |
formaldehyde_exFCI_aug-cc-pVTZ.dat
|
Add formaldehyde absorption data
|
2019-11-17 16:25:02 +01:00 |
formaldehyde_exp..dat
|
Add formaldehyde absorption data
|
2019-11-17 16:25:02 +01:00 |
hydrogen_chloride_CC3_aug-cc-pVDZ.dat
|
Add data for hydrogen chloride absorption
|
2019-10-07 18:23:02 +02:00 |
hydrogen_chloride_CC3_aug-cc-pVQZ.dat
|
Add data for hydrogen chloride absorption
|
2019-10-07 18:23:02 +02:00 |
hydrogen_chloride_CC3_aug-cc-pVTZ.dat
|
Add data for hydrogen chloride absorption
|
2019-10-07 18:23:02 +02:00 |
hydrogen_chloride_CCSDT_aug-cc-pVDZ.dat
|
Add data for hydrogen chloride absorption
|
2019-10-07 18:23:02 +02:00 |
hydrogen_chloride_CCSDT_aug-cc-pVQZ.dat
|
Add data for hydrogen chloride absorption
|
2019-10-07 18:23:02 +02:00 |
hydrogen_chloride_CCSDT_aug-cc-pVTZ.dat
|
Add data for hydrogen chloride absorption
|
2019-10-07 18:23:02 +02:00 |
hydrogen_chloride_CCSDTQ_aug-cc-pVDZ.dat
|
Add data for hydrogen chloride absorption
|
2019-10-07 18:23:02 +02:00 |
hydrogen_chloride_CCSDTQ_aug-cc-pVTZ.dat
|
Add data for hydrogen chloride absorption
|
2019-10-07 18:23:02 +02:00 |
hydrogen_chloride_CCSDTQP_aug-cc-pVDZ.dat
|
Add data for hydrogen chloride absorption
|
2019-10-07 18:23:02 +02:00 |
hydrogen_chloride_exFCI_aug-cc-pVDZ.dat
|
Add data for hydrogen chloride absorption
|
2019-10-07 18:23:02 +02:00 |
hydrogen_chloride_exFCI_aug-cc-pVQZ.dat
|
Add data for hydrogen chloride absorption
|
2019-10-07 18:23:02 +02:00 |
hydrogen_chloride_exFCI_aug-cc-pVTZ.dat
|
Add data for hydrogen chloride absorption
|
2019-10-07 18:23:02 +02:00 |
hydrogen_sulfide_CC3_aug-cc-pVDZ.dat
|
Add hydrogen sulfide absorption files
|
2019-09-30 18:26:32 +02:00 |
hydrogen_sulfide_CC3_aug-cc-pVQZ.dat
|
Add hydrogen sulfide absorption files
|
2019-09-30 18:26:32 +02:00 |
hydrogen_sulfide_CC3_aug-cc-pVTZ.dat
|
Add hydrogen sulfide absorption files
|
2019-09-30 18:26:32 +02:00 |
hydrogen_sulfide_CCSDT_aug-cc-pVDZ.dat
|
Add hydrogen sulfide absorption files
|
2019-09-30 18:26:32 +02:00 |
hydrogen_sulfide_CCSDT_aug-cc-pVQZ.dat
|
Add hydrogen sulfide absorption files
|
2019-09-30 18:26:32 +02:00 |
hydrogen_sulfide_CCSDT_aug-cc-pVTZ.dat
|
Add hydrogen sulfide absorption files
|
2019-09-30 18:26:32 +02:00 |
hydrogen_sulfide_CCSDTQ_aug-cc-pVDZ.dat
|
Add hydrogen sulfide absorption files
|
2019-09-30 18:26:32 +02:00 |
hydrogen_sulfide_CCSDTQ_aug-cc-pVTZ.dat
|
Add hydrogen sulfide absorption files
|
2019-09-30 18:26:32 +02:00 |
hydrogen_sulfide_CCSDTQP_aug-cc-pVDZ.dat
|
Add hydrogen sulfide absorption files
|
2019-09-30 18:26:32 +02:00 |
hydrogen_sulfide_exFCI_aug-cc-pVDZ.dat
|
Add hydrogen sulfide absorption files
|
2019-09-30 18:26:32 +02:00 |
hydrogen_sulfide_exFCI_aug-cc-pVQZ.dat
|
Add hydrogen sulfide absorption files
|
2019-09-30 18:26:32 +02:00 |
hydrogen_sulfide_exFCI_aug-cc-pVTZ.dat
|
Add hydrogen sulfide absorption files
|
2019-09-30 18:26:32 +02:00 |
hydrogen_sulfide_exp.dat
|
Add hydrogen sulfide absorption files
|
2019-09-30 18:26:32 +02:00 |
water_CC3_aug-cc-pVDZ.dat
|
Rename and and fix comment
|
2019-09-27 15:33:55 +02:00 |
water_CC3_aug-cc-pVQZ.dat
|
Add aug-cc-pVQZ for water
|
2019-09-30 18:13:12 +02:00 |
water_CC3_aug-cc-pVTZ.dat
|
Adapt files to the new format
|
2019-09-27 15:33:55 +02:00 |
water_CCSDT_aug-cc-pVDZ.dat
|
Adapt files to the new format
|
2019-09-27 15:33:55 +02:00 |
water_CCSDT_aug-cc-pVQZ.dat
|
Add aug-cc-pVQZ for water
|
2019-09-30 18:13:12 +02:00 |
water_CCSDT_aug-cc-pVTZ.dat
|
Adapt files to the new format
|
2019-09-27 15:33:55 +02:00 |
water_CCSDTQ_aug-cc-pVDZ.dat
|
Adapt files to the new format
|
2019-09-27 15:33:55 +02:00 |
water_CCSDTQ_aug-cc-pVTZ.dat
|
Adapt files to the new format
|
2019-09-27 15:33:55 +02:00 |
water_CCSDTQP_aug-cc-pVDZ.dat
|
Fix CCSDTQP
|
2019-09-28 13:53:33 +02:00 |
water_exFCI_aug-cc-pVDZ.dat
|
Adapt files to the new format
|
2019-09-27 15:33:55 +02:00 |
water_exFCI_aug-cc-pVQZ.dat
|
Add aug-cc-pVQZ for water
|
2019-09-30 18:13:12 +02:00 |
water_exFCI_aug-cc-pVTZ.dat
|
Adapt files to the new format
|
2019-09-27 15:33:55 +02:00 |
water_exp.dat
|
Fix spaces and Cie on Water exp
|
2019-09-27 20:18:32 +02:00 |