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3fb8361014
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Add pyrrole
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2020-02-17 11:28:58 +01:00 |
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7dee833add
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Add furan
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2020-02-17 11:28:58 +01:00 |
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07c8e3a0ab
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Add thiopropynal
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2020-02-17 11:28:58 +01:00 |
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11d2354d74
|
Add propynal
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2020-02-17 11:28:58 +01:00 |
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28ecf30f80
|
Add isobutene
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2020-02-17 11:28:57 +01:00 |
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542e3de106
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Add cyanoformaldehyde
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2020-02-17 11:28:57 +01:00 |
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f7680ae56a
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Add acetone
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2020-02-17 11:28:57 +01:00 |
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f014a97046
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Add glyoxal
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2020-02-17 11:28:57 +01:00 |
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c897c5e1ff
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Butadiene
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2020-02-17 11:28:57 +01:00 |
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e47ac623d4
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Add acrolein
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2020-02-17 11:28:57 +01:00 |
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3375225cdb
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Add methylenecyclopropene
|
2020-02-17 11:28:57 +01:00 |
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69a4e66dd2
|
Add cyclopropenethione
|
2020-02-17 11:28:57 +01:00 |
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c1f44caa40
|
Add cyclopropenone
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2020-02-17 11:28:57 +01:00 |
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057ae066f7
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Add diacetylene
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2020-02-17 11:28:57 +01:00 |
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b3e470bbd8
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Fix aug
|
2020-02-17 11:28:57 +01:00 |
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a21d98b0ea
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Add data for cyanogen
|
2020-02-17 11:28:57 +01:00 |
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e86f954830
|
Add data for cyanoacetylene for QUEST#3
|
2020-02-17 11:28:57 +01:00 |
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1a398bbb50
|
Delete file on bad branch
|
2020-02-17 10:51:58 +01:00 |
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0aa6f80735
|
Add missing informations
|
2020-02-17 10:12:42 +01:00 |
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6d5c17b92b
|
Add water TBE/CBS
|
2020-02-17 10:09:55 +01:00 |
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fe6cf76a69
|
Add streptocyanine-c1
|
2020-02-17 09:53:48 +01:00 |
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d25239ba95
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Add missing data due to subtablesindex bug
|
2020-02-16 17:57:44 +01:00 |
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daa62495fa
|
Add geometry and DOI
|
2020-02-15 17:43:30 +01:00 |
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cbb0a8e219
|
Add missing files of QUEST#1
|
2020-02-15 17:40:52 +01:00 |
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|
519b237d8d
|
Fix experimental typo
|
2020-02-10 12:01:31 +01:00 |
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|
bb475a0ec3
|
Add reference for QUEST#3
|
2020-02-04 12:11:08 +01:00 |
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|
5392b9ee53
|
Fix filenames in fluo
|
2020-02-03 17:47:19 +01:00 |
|
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|
5e5d98fb8d
|
Fix filenames for STEOM-CCSD
|
2020-02-03 17:44:40 +01:00 |
|
|
|
c878b587f2
|
Fix filenames for CCSDR(3)
|
2020-02-03 17:43:00 +01:00 |
|
|
|
0e82af227e
|
Fix CBS filenames
|
2020-02-03 17:41:37 +01:00 |
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|
e759d88c77
|
Fix CBS
|
2020-02-03 15:51:17 +01:00 |
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f86ca7a42a
|
Fix methods names
|
2020-02-03 15:07:32 +01:00 |
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|
f66426453f
|
Fix significative figures in datafiles
|
2020-02-03 13:26:26 +01:00 |
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|
|
809271da76
|
Fix carbon monoxide typo
|
2020-01-29 17:20:34 +01:00 |
|
|
|
feea071247
|
Fix excitations for carbon monoxide
|
2020-01-29 17:20:34 +01:00 |
|
|
|
43024a98a3
|
Fix excitations for diazomethane
|
2020-01-29 17:20:34 +01:00 |
|
|
|
ed38488c26
|
Fix excitation for nitrosomethane
|
2020-01-29 17:20:34 +01:00 |
|
|
|
d60a5fb2fc
|
Fix excitation for ketene
|
2020-01-29 17:20:34 +01:00 |
|
|
|
fbbe3ac76b
|
Fix excitation for formamide
|
2020-01-29 17:20:34 +01:00 |
|
|
|
9a0eb03769
|
Fix excitation for formaldehyde
|
2020-01-29 17:20:34 +01:00 |
|
|
|
5c36e484e8
|
Set unsafe for the 2 first A' of formamide
|
2020-01-29 17:20:34 +01:00 |
|
|
|
11fdb62376
|
Set unsafe for n,n->π*,π*
|
2020-01-29 17:20:34 +01:00 |
|
|
|
71aa05ac2b
|
Fix excited state for ammonia
|
2020-01-29 17:20:34 +01:00 |
|
|
|
b875dae624
|
Fix missing code
|
2020-01-29 17:20:34 +01:00 |
|
|
|
88acab0c32
|
Fix transition for water
|
2020-01-29 17:20:34 +01:00 |
|
|
|
b9110a694c
|
Fix transition for thioformaldehyde
|
2020-01-29 17:20:34 +01:00 |
|
|
|
97b575d1bb
|
Fix transition for formaldehyde
|
2020-01-29 17:20:34 +01:00 |
|
|
|
506d6db60e
|
Fix transition for diazomethane
|
2020-01-29 17:20:34 +01:00 |
|
|
|
ddf5d97e2c
|
Fix transition for ammonia
|
2020-01-29 17:20:34 +01:00 |
|
|
|
0131432b07
|
Use ∞ symbol instead of latex
|
2020-01-29 17:20:34 +01:00 |
|
