|
|
b3dc95c768
|
inputs and outputs CAM-B3LYP for H2
|
2021-02-23 13:27:26 +01:00 |
|
|
|
6d5843ab96
|
figure
|
2021-02-23 13:16:32 +01:00 |
|
|
|
c84c655a37
|
figures
|
2021-02-23 13:12:46 +01:00 |
|
|
|
53fc14e23f
|
Graph CAM_B3LYP H2
|
2021-02-23 11:51:54 +01:00 |
|
|
|
a5043b0b1a
|
Graph CAM-B3LYP for H2
|
2021-02-23 11:49:39 +01:00 |
|
|
|
26e290f4d6
|
inputs and outputs Be and CBD
|
2021-02-23 09:45:35 +01:00 |
|
|
|
f8710d1668
|
notebook Be and CBD
|
2021-02-23 09:38:24 +01:00 |
|
|
|
a3bbe50259
|
Be SF-TD-CAM-B3LYP
|
2021-02-23 09:21:18 +01:00 |
|
|
|
69052899fb
|
SF-TD-CAM-B3LYP
|
2021-02-23 09:03:39 +01:00 |
|
|
|
4a808fdf7d
|
typo
|
2021-02-22 10:30:48 +01:00 |
|
|
|
9d15de83e0
|
rename output
|
2021-01-22 16:55:53 +01:00 |
|
|
|
9fa1f72f7f
|
new figures
|
2021-01-22 15:38:24 +01:00 |
|
|
|
38a6a77225
|
Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE
|
2021-01-22 14:47:12 +01:00 |
|
|
|
334aced980
|
small typos
|
2021-01-22 14:47:03 +01:00 |
|
|
|
593b35ca3e
|
H2 Notebook
|
2021-01-21 18:34:43 +01:00 |
|
|
|
ea0478944a
|
H2 outputs
|
2021-01-21 18:12:22 +01:00 |
|
|
|
d0faf9f87a
|
CBD outputs and inputs
|
2021-01-21 18:00:27 +01:00 |
|
|
|
d22dee6a00
|
small modifications in tables
|
2021-01-21 16:42:38 +01:00 |
|
|
|
7486e30a43
|
Tables
|
2021-01-21 16:28:52 +01:00 |
|
|
|
4db2c2c5a1
|
Table
|
2021-01-21 13:46:37 +01:00 |
|
|
|
74b9388d0c
|
minor modifs in captions
|
2021-01-21 13:02:33 +01:00 |
|
|
|
acd7e9bc7b
|
rename figs
|
2021-01-21 12:53:58 +01:00 |
|
|
|
42ec4ee415
|
rename figs
|
2021-01-21 12:53:16 +01:00 |
|
|
|
2549a759df
|
TOC
|
2021-01-21 12:06:17 +01:00 |
|
|
|
2c14770632
|
minor changes in abstract and intro
|
2021-01-20 22:25:22 +01:00 |
|
|
|
59ad3ae420
|
minor corrections in results
|
2021-01-20 21:36:41 +01:00 |
|
|
|
4d0fde1be0
|
Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE
|
2021-01-20 18:04:38 +01:00 |
|
|
|
ceb50cbf93
|
new figures
|
2021-01-20 18:04:30 +01:00 |
|
|
|
b418d7c530
|
new figures
|
2021-01-20 18:04:07 +01:00 |
|
|
|
226a37acb8
|
H2 BHHLYP results
|
2021-01-20 17:13:20 +01:00 |
|
|
|
223a1a011b
|
H2 B3LYP results
|
2021-01-20 16:19:16 +01:00 |
|
|
|
6ad02c866f
|
Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE
|
2021-01-20 15:55:13 +01:00 |
|
|
|
f1d05e6ac3
|
H2 BLYP results
|
2021-01-20 15:54:32 +01:00 |
|
|
|
1d6a475ff2
|
swap states D4h
|
2021-01-20 15:35:28 +01:00 |
|
|
|
c1f56bede3
|
H2 TD-BLYP results
|
2021-01-20 14:53:30 +01:00 |
|
|
|
b90e1326d8
|
graphs SI
|
2021-01-20 13:55:58 +01:00 |
|
|
|
bc157d649b
|
H2 SF-BLYP results
|
2021-01-20 12:08:02 +01:00 |
|
|
|
05095381c5
|
H2 sf-td-b3lyp results
|
2021-01-20 08:44:17 +01:00 |
|
|
|
ecb8acd30d
|
H2 b3lyp results
|
2021-01-20 08:12:46 +01:00 |
|
|
|
42b51637e9
|
modif Pina
|
2021-01-19 22:05:31 +01:00 |
|
|
|
a37955653c
|
cover letter done
|
2021-01-19 19:31:27 +01:00 |
|
|
|
6236d191d7
|
Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE
|
2021-01-19 18:33:28 +01:00 |
|
|
|
f221fcc2e3
|
cover letter
|
2021-01-19 18:33:20 +01:00 |
|
|
|
0991e92ea3
|
Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE
|
2021-01-19 17:10:48 +01:00 |
|
|
|
10d7e68234
|
one more ref
|
2021-01-19 17:10:41 +01:00 |
|
|
|
9f6c5a9917
|
Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE
|
2021-01-19 16:59:40 +01:00 |
|
|
|
5958a3904d
|
H2 EOM-CCSD output
|
2021-01-19 16:58:52 +01:00 |
|
|
|
de86ab0cd6
|
Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE
|
2021-01-19 16:52:52 +01:00 |
|
|
|
5c572d247a
|
acs style
|
2021-01-19 16:52:43 +01:00 |
|
|
|
e534bb8b0e
|
H2 TDDFT Gaussian results
|
2021-01-19 16:33:50 +01:00 |
|
