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inputs and outputs Be and CBD
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2021-02-23 09:45:35 +01:00 |
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notebook Be and CBD
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2021-02-23 09:38:24 +01:00 |
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Be SF-TD-CAM-B3LYP
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2021-02-23 09:21:18 +01:00 |
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SF-TD-CAM-B3LYP
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2021-02-23 09:03:39 +01:00 |
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typo
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2021-02-22 10:30:48 +01:00 |
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9d15de83e0
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rename output
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2021-01-22 16:55:53 +01:00 |
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new figures
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2021-01-22 15:38:24 +01:00 |
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE
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2021-01-22 14:47:12 +01:00 |
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334aced980
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small typos
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2021-01-22 14:47:03 +01:00 |
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593b35ca3e
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H2 Notebook
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2021-01-21 18:34:43 +01:00 |
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ea0478944a
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H2 outputs
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2021-01-21 18:12:22 +01:00 |
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d0faf9f87a
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CBD outputs and inputs
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2021-01-21 18:00:27 +01:00 |
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d22dee6a00
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small modifications in tables
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2021-01-21 16:42:38 +01:00 |
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7486e30a43
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Tables
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2021-01-21 16:28:52 +01:00 |
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4db2c2c5a1
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Table
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2021-01-21 13:46:37 +01:00 |
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minor modifs in captions
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2021-01-21 13:02:33 +01:00 |
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acd7e9bc7b
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rename figs
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2021-01-21 12:53:58 +01:00 |
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42ec4ee415
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rename figs
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2021-01-21 12:53:16 +01:00 |
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TOC
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2021-01-21 12:06:17 +01:00 |
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2c14770632
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minor changes in abstract and intro
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2021-01-20 22:25:22 +01:00 |
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minor corrections in results
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2021-01-20 21:36:41 +01:00 |
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4d0fde1be0
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE
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2021-01-20 18:04:38 +01:00 |
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ceb50cbf93
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new figures
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2021-01-20 18:04:30 +01:00 |
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b418d7c530
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new figures
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2021-01-20 18:04:07 +01:00 |
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226a37acb8
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H2 BHHLYP results
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2021-01-20 17:13:20 +01:00 |
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223a1a011b
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H2 B3LYP results
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2021-01-20 16:19:16 +01:00 |
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE
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2021-01-20 15:55:13 +01:00 |
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f1d05e6ac3
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H2 BLYP results
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2021-01-20 15:54:32 +01:00 |
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1d6a475ff2
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swap states D4h
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2021-01-20 15:35:28 +01:00 |
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H2 TD-BLYP results
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2021-01-20 14:53:30 +01:00 |
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b90e1326d8
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graphs SI
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2021-01-20 13:55:58 +01:00 |
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bc157d649b
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H2 SF-BLYP results
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2021-01-20 12:08:02 +01:00 |
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05095381c5
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H2 sf-td-b3lyp results
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2021-01-20 08:44:17 +01:00 |
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ecb8acd30d
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H2 b3lyp results
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2021-01-20 08:12:46 +01:00 |
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42b51637e9
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modif Pina
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2021-01-19 22:05:31 +01:00 |
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cover letter done
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2021-01-19 19:31:27 +01:00 |
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE
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2021-01-19 18:33:28 +01:00 |
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f221fcc2e3
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cover letter
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2021-01-19 18:33:20 +01:00 |
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0991e92ea3
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE
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2021-01-19 17:10:48 +01:00 |
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10d7e68234
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one more ref
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2021-01-19 17:10:41 +01:00 |
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE
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2021-01-19 16:59:40 +01:00 |
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H2 EOM-CCSD output
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2021-01-19 16:58:52 +01:00 |
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de86ab0cd6
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE
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2021-01-19 16:52:52 +01:00 |
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5c572d247a
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acs style
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2021-01-19 16:52:43 +01:00 |
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e534bb8b0e
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H2 TDDFT Gaussian results
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2021-01-19 16:33:50 +01:00 |
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3aa0ccdfbd
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SF-BSE_S2 fig
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2021-01-19 16:23:48 +01:00 |
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SI
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2021-01-19 16:22:58 +01:00 |
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE
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2021-01-19 15:21:44 +01:00 |
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08bcfe005d
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typo
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2021-01-19 15:21:30 +01:00 |
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a9c5953927
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remove tddft qchem results
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2021-01-19 14:37:10 +01:00 |
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