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024b89a49c
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Add DOI
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2020-02-17 11:28:58 +01:00 |
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720948ecab
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Add triazine
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2020-02-17 11:28:58 +01:00 |
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a28572d050
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Pyrimidine
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2020-02-17 11:28:58 +01:00 |
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96428182c3
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Add pyridine
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2020-02-17 11:28:58 +01:00 |
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4337428fe4
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Add pyridazine
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2020-02-17 11:28:58 +01:00 |
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c61f6cd36c
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Add tetrazine
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2020-02-17 11:28:58 +01:00 |
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24940ab48d
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Add pyrazine
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2020-02-17 11:28:58 +01:00 |
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857221f092
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Add benzene
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2020-02-17 11:28:58 +01:00 |
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00ee3f188b
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Add thiophene
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2020-02-17 11:28:58 +01:00 |
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2270f28a7f
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Add imidazole
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2020-02-17 11:28:58 +01:00 |
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aba42a9751
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Add cyclopentadiene
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2020-02-17 11:28:58 +01:00 |
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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
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Add propynal
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2020-02-17 11:28:58 +01:00 |
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28ecf30f80
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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
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2020-02-17 11:28:57 +01:00 |
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69a4e66dd2
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Add cyclopropenethione
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2020-02-17 11:28:57 +01:00 |
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c1f44caa40
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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
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2020-02-17 11:28:57 +01:00 |
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a21d98b0ea
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Add data for cyanogen
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2020-02-17 11:28:57 +01:00 |
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e86f954830
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Add data for cyanoacetylene for QUEST#3
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2020-02-17 11:28:57 +01:00 |
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1a398bbb50
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Delete file on bad branch
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2020-02-17 10:51:58 +01:00 |
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0aa6f80735
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Add missing informations
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2020-02-17 10:12:42 +01:00 |
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6d5c17b92b
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Add water TBE/CBS
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2020-02-17 10:09:55 +01:00 |
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fe6cf76a69
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Add streptocyanine-c1
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2020-02-17 09:53:48 +01:00 |
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d25239ba95
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Add missing data due to subtablesindex bug
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2020-02-16 17:57:44 +01:00 |
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daa62495fa
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Add geometry and DOI
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2020-02-15 17:43:30 +01:00 |
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cbb0a8e219
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Add missing files of QUEST#1
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2020-02-15 17:40:52 +01:00 |
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519b237d8d
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Fix experimental typo
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2020-02-10 12:01:31 +01:00 |
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5e5d98fb8d
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Fix filenames for STEOM-CCSD
|
2020-02-03 17:44:40 +01:00 |
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c878b587f2
|
Fix filenames for CCSDR(3)
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2020-02-03 17:43:00 +01:00 |
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0e82af227e
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Fix CBS filenames
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2020-02-03 17:41:37 +01:00 |
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e759d88c77
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Fix CBS
|
2020-02-03 15:51:17 +01:00 |
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f86ca7a42a
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Fix methods names
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2020-02-03 15:07:32 +01:00 |
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f66426453f
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Fix significative figures in datafiles
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2020-02-03 13:26:26 +01:00 |
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809271da76
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Fix carbon monoxide typo
|
2020-01-29 17:20:34 +01:00 |
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feea071247
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Fix excitations for carbon monoxide
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2020-01-29 17:20:34 +01:00 |
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43024a98a3
|
Fix excitations for diazomethane
|
2020-01-29 17:20:34 +01:00 |
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ed38488c26
|
Fix excitation for nitrosomethane
|
2020-01-29 17:20:34 +01:00 |
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d60a5fb2fc
|
Fix excitation for ketene
|
2020-01-29 17:20:34 +01:00 |
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fbbe3ac76b
|
Fix excitation for formamide
|
2020-01-29 17:20:34 +01:00 |
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9a0eb03769
|
Fix excitation for formaldehyde
|
2020-01-29 17:20:34 +01:00 |
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5c36e484e8
|
Set unsafe for the 2 first A' of formamide
|
2020-01-29 17:20:34 +01:00 |
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