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8f4e5df58d
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figure D2h with CCSD
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2022-04-08 09:52:23 +02:00 |
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9d94daaf04
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CCSD D2h
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2022-04-08 09:28:11 +02:00 |
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Pierre-Francois Loos
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b87280dada
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OK for Denis comments
|
2022-04-07 22:37:25 +02:00 |
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Pierre-Francois Loos
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13c66deeca
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Denis corrections
|
2022-04-07 21:34:35 +02:00 |
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Pierre-Francois Loos
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5288669637
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donw for titou for now
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2022-04-06 18:23:13 +02:00 |
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Pierre-Francois Loos
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68e1741294
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saving work in final reading
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2022-04-06 17:29:03 +02:00 |
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Pierre-Francois Loos
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1ae8c528ff
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rough first draft done
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2022-04-06 14:26:14 +02:00 |
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Pierre-Francois Loos
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6b49657428
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almost done with D4h
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2022-04-06 12:21:30 +02:00 |
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eb5d69eb59
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2022-04-06 11:11:02 +02:00 |
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4491dafb82
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new figure2
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2022-04-06 11:10:57 +02:00 |
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Pierre-Francois Loos
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6e8222d205
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D4h SF-TDDFt
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2022-04-06 11:08:41 +02:00 |
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Pierre-Francois Loos
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70478ff3a1
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saving work in D4h
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2022-04-05 22:22:40 +02:00 |
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Pierre-Francois Loos
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660adf0873
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moving stuff in supporting information
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2022-04-05 21:50:31 +02:00 |
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5b83268c83
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2022-04-05 16:28:24 +02:00 |
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88c8a727bc
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Piotr reference values
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2022-04-05 16:28:18 +02:00 |
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82b80aec29
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first cleanup of D2h done
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2022-04-05 16:20:43 +02:00 |
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cf15d753d0
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fix bib
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2022-04-05 15:33:24 +02:00 |
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25f571e1f4
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resolving issue
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2022-04-05 14:13:03 +02:00 |
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af58b4346d
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saving work in D2h
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2022-04-05 14:10:46 +02:00 |
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Pierre-Francois Loos
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77fa7f4076
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saving work in D2h
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2022-04-04 22:17:48 +02:00 |
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90770ba4b5
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2022-04-04 16:55:08 +02:00 |
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544d2845a7
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updated figures+Ssquare
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2022-04-04 16:54:09 +02:00 |
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0875e53654
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swap lines
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2022-04-04 15:07:43 +02:00 |
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a6d41f6490
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SC-NEVPT2(12,12) figure 2
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2022-04-04 10:01:47 +02:00 |
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691ed04ccf
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SC and PC
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2022-04-04 09:56:20 +02:00 |
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6c31035f65
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updated TBEs
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2022-04-04 08:50:52 +02:00 |
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a2f79e6e52
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figures without MRCI
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2022-04-04 08:42:24 +02:00 |
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065a509078
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figure 2
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2022-04-04 08:39:34 +02:00 |
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Pierre-Francois Loos
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e34ac4f329
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saving work in D2h
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2022-04-02 21:30:39 +02:00 |
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Pierre-Francois Loos
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89a015658f
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new CAS results for (4,4)
|
2022-04-02 18:19:41 +02:00 |
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Pierre-Francois Loos
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3e4e572018
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
|
2022-04-01 10:32:23 +02:00 |
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Pierre-Francois Loos
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565a3840fc
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almost done with AB
|
2022-04-01 10:32:14 +02:00 |
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24d2e83d51
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Supporting
|
2022-04-01 10:23:41 +02:00 |
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Pierre-Francois Loos
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38a17f88b7
|
Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
|
2022-04-01 10:01:34 +02:00 |
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Pierre-Francois Loos
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5b34269c5e
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saving work in AB
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2022-04-01 10:01:31 +02:00 |
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fd340674e3
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2022-04-01 09:30:05 +02:00 |
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6107d8e7f2
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corrections Enzo
|
2022-04-01 09:29:50 +02:00 |
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Pierre-Francois Loos
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f65f8ef09d
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saving work in AB
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2022-04-01 09:21:18 +02:00 |
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c1af148d02
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ok up to geom
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2022-03-31 10:52:56 +02:00 |
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9781e3e48e
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AB graph ADC(2.5)
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2022-03-31 08:26:04 +02:00 |
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Pierre-Francois Loos
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0dfa8835b1
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2022-03-30 22:57:22 +02:00 |
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Pierre-Francois Loos
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a1948cb896
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ok with geometries for now
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2022-03-30 22:57:16 +02:00 |
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6804480ab6
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figures D2h D4h ADC(2.5)
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2022-03-30 17:51:43 +02:00 |
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Pierre-Francois Loos
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e79f2f3d5a
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2022-03-30 17:30:56 +02:00 |
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Pierre-Francois Loos
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fadde84861
|
saving work in geom
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2022-03-30 17:30:50 +02:00 |
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851115daf5
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
|
2022-03-30 17:26:44 +02:00 |
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dca43cae66
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ADC(2.5) values
|
2022-03-30 17:26:40 +02:00 |
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Pierre-Francois Loos
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be0465cfb2
|
Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
|
2022-03-30 17:03:24 +02:00 |
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Pierre-Francois Loos
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0ba168eab1
|
ok with abstract, intro and comp details for now
|
2022-03-30 17:03:19 +02:00 |
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499c6de611
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correction label graph D4h
|
2022-03-30 16:46:47 +02:00 |
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Pierre-Francois Loos
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a4a4274aed
|
saving work. Again issue in state labels
|
2022-03-28 22:44:57 +02:00 |
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3eff5aecd8
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correction on graphs
|
2022-03-25 15:44:59 +01:00 |
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Pierre-Francois Loos
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5ea396ce96
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almost done with comp details
|
2022-03-24 22:37:16 +01:00 |
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d4badd4e73
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saving work in comp details
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2022-03-24 15:07:08 +01:00 |
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Pierre-Francois Loos
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070d37c5c9
|
saving work in comp details
|
2022-03-23 22:36:43 +01:00 |
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Pierre-Francois Loos
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4ad7e8adcb
|
saving work in comp details
|
2022-03-23 17:14:00 +01:00 |
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Pierre-Francois Loos
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69f786fd04
|
OK with intro for now
|
2022-03-23 17:06:13 +01:00 |
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Pierre-Francois Loos
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edd571cf6b
|
saving work in intro
|
2022-03-23 11:59:28 +01:00 |
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Pierre-Francois Loos
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d8c198538f
|
Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
|
2022-03-23 10:55:58 +01:00 |
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Pierre-Francois Loos
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7266883428
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saving work
|
2022-03-23 10:55:45 +01:00 |
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6f2a61e207
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figure 1 Enzo
|
2022-03-23 10:49:24 +01:00 |
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098c2d4acc
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correction of states Enzo
|
2022-03-22 10:08:01 +01:00 |
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Pierre-Francois Loos
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15a69731ec
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saving work
|
2022-03-21 22:29:11 +01:00 |
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Pierre-Francois Loos
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3eece725ed
|
stop coz of problem of state labels
|
2022-03-21 22:19:47 +01:00 |
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fad899be58
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abstract
|
2022-03-21 17:08:59 +01:00 |
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f7ad2c1d8a
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minor corrections Enzo
|
2022-03-21 16:05:12 +01:00 |
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3b4d7d3c52
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minor corrections from T2
|
2022-03-21 14:22:50 +01:00 |
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7320cacad9
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Manuscript update
|
2022-03-21 09:23:18 +01:00 |
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363127773e
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typos and others for Enzo
|
2022-03-14 15:29:31 +01:00 |
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2be233eea6
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Manuscript update literature
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2022-03-14 09:41:40 +01:00 |
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343df00dd0
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Manuscript update
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2022-03-09 11:05:23 +01:00 |
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6420680e01
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Manuscript update
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2022-03-08 16:00:51 +01:00 |
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31cce8bf15
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Manuscript update
|
2022-03-08 10:53:12 +01:00 |
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272a80f7da
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Manuscript/CBD.tex
|
2022-03-07 15:46:33 +01:00 |
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e4906129bc
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D4h and D2h figures
|
2022-02-14 09:42:01 +01:00 |
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49314dee6d
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TBE updates
|
2022-01-29 10:36:29 +01:00 |
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15489e6dfc
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TBE
|
2022-01-21 19:48:13 +01:00 |
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a44b37e642
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
|
2022-01-20 11:03:17 +01:00 |
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f81029aacf
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TBE table
|
2022-01-20 11:02:52 +01:00 |
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Pierre-Francois Loos
|
57bae7dd0b
|
standalone documentclass in figure1
|
2022-01-18 11:57:02 +01:00 |
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7f7f258c89
|
figures
|
2022-01-17 14:25:11 +01:00 |
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85e639674a
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excited states D4h
|
2022-01-03 16:26:25 +01:00 |
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c88b37a9e6
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D2h excited states update
|
2021-12-24 15:43:09 +01:00 |
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952a4b184a
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Manuscript update D2h excited states
|
2021-12-23 18:39:12 +01:00 |
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ab6113fb09
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Autoisomerization part
|
2021-12-14 13:50:37 +01:00 |
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c8e4d81ba2
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Manuscript updates
|
2021-12-10 15:02:29 +01:00 |
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cf39ee9870
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modifs footnotes
|
2021-11-29 15:28:23 +01:00 |
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2a6b18b889
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Notebook updates
|
2021-11-29 15:01:04 +01:00 |
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c31007608a
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Manuscript
|
2021-07-02 09:18:41 +02:00 |
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17318c887a
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Manuscript
|
2021-06-10 11:10:19 +02:00 |
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bd8fa5b9af
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manuscript updates
|
2021-05-17 15:06:15 +02:00 |
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9cb7d3794e
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Manuscript + Notebook
|
2021-04-23 07:27:35 +02:00 |
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dbec5bf97b
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D4h Notebook and Manuscript updates
|
2021-04-15 11:48:04 +02:00 |
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1c54b466b4
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Tables D4h
|
2021-04-14 11:38:59 +02:00 |
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5fa99d5dbb
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Table D2h
|
2021-04-14 09:10:09 +02:00 |
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cbb0aea908
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Table CBD D2h
|
2021-04-12 15:57:47 +02:00 |
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e90a525ea9
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CBD Manuscript
|
2021-04-12 09:18:02 +02:00 |
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2c26e82e1a
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Manuscript
|
2021-04-08 14:25:50 +02:00 |
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9ef6a28f01
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Manuscript
|
2021-04-08 13:39:15 +02:00 |
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b4ca26d952
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CBD Manuscript
|
2021-04-01 07:33:54 +02:00 |
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