PTEROSOR/QUESTDB_website
10
0
Fork 0
mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-07-22 18:57:38 +02:00
Code Releases Activity

Add missing coode for ethylene

Browse Source
This commit is contained in:
Mickaël Véril 2019-11-17 14:49:11 +01:00
parent 98f751b430
commit c69cac1b61
4 changed files with 4 additions and 4 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
static/data/abs/ethylene_CCSDTQ_aug-cc-pVDZ.dat
View File

@ -1,6 +1,6 @@
# Molecule : Ethylene
# Comment : Absorption energies of the ethylene molecule
# code :
# code : MRCC
# method : CCSDTQ,aug-cc-pVDZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406

2
static/data/abs/ethylene_CCSDT_aug-cc-pVTZ.dat
View File

@ -1,6 +1,6 @@
# Molecule : Ethylene
# Comment : Absorption energies of the ethylene molecule
# code :
# code : MRCC
# method : CCSDT,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406

2
static/data/abs/ethylene_exFCI_aug-cc-pVDZ.dat
View File

@ -1,6 +1,6 @@
# Molecule : Ethylene
# Comment : Absorption energies of the ethylene molecule
# code :
# code : MRCC
# method : exFCI,aug-cc-pVDZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406

2
static/data/abs/ethylene_exFCI_aug-cc-pVTZ.dat
View File

@ -1,6 +1,6 @@
# Molecule : Ethylene
# Comment : Absorption energies of the ethylene molecule
# code :
# code : MRCC
# method : exFCI,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406