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Commit Graph

318 Commits

Author SHA1 Message Date
0ecb6a26f6 Merge branch 'TBE' into QUEST#3 2020-02-28 16:10:26 +01:00
e10ade912a fix file name for streptocyanine-C1 2020-02-28 16:04:44 +01:00
0d2cf406e1 Fix doublon 2020-02-27 15:14:42 +01:00
2f3fd46f46 Fix carbon monxide data 2020-02-27 13:11:58 +01:00
e5c5f120e0 Fix doublon 2020-02-27 12:43:18 +01:00
85d48a336e Fix infinity doublon 2020-02-27 12:11:00 +01:00
559c8d5eb7 Fix bug in nitrosomethane 2020-02-27 10:28:08 +01:00
a986d9ae72 Fix some files 2020-02-27 10:23:37 +01:00
ad2238c664 Fix streptocyanine-C1 2020-02-26 16:23:59 +01:00
e66c042d2a Optional separator between method and basis in toString() method 2020-02-20 11:54:50 +01:00
50c814b612 Fix formaldehyde 2020-02-20 11:03:14 +01:00
c9bea63f51 Replace formaldehyde 2020-02-19 17:14:27 +01:00
5fd4ad54c5 Use LaTeX standard for \prime 2020-02-17 13:25:15 +01:00
1c680f819c Fix state number 2020-02-17 12:42:25 +01:00
64b78ec3bf Add acetone exp missing file 2020-02-17 11:35:26 +01:00
8065db3929 Add missing data for new files 2020-02-17 11:34:21 +01:00
a9902def31 Add last table 2020-02-17 11:34:21 +01:00
051f014a3c Add diacetylene 2020-02-17 11:34:20 +01:00
42d024d0e3 Add cyanogen 2020-02-17 11:34:20 +01:00
e7847ae678 Add cyanoacetylene 2020-02-17 11:34:20 +01:00
718ac47690 Add triazine 2020-02-17 11:34:20 +01:00
066eb34e1e Add pyrimidine 2020-02-17 11:34:20 +01:00
3d736c5352 Add pyridine 2020-02-17 11:34:20 +01:00
2d6f7603d0 Add pyridazine 2020-02-17 11:34:20 +01:00
c0f03027ff Add tertrazine 2020-02-17 11:34:20 +01:00
76ed53514e Add pyrazine 2020-02-17 11:34:20 +01:00
65eb9e5eda Add benzene 2020-02-17 11:34:20 +01:00
bb140e80c4 Add thiophene 2020-02-17 11:34:20 +01:00
16b28c4abb Add imidazole 2020-02-17 11:34:20 +01:00
596494dfa2 Add cyclopentadiene 2020-02-17 11:34:20 +01:00
24a315c95d Add pyrrole 2020-02-17 11:34:20 +01:00
1a7bbb4a0a Add furan 2020-02-17 11:34:20 +01:00
c6752cc399 Add thiopropynal 2020-02-17 11:34:20 +01:00
3e9b1f2409 Add thioacetone 2020-02-17 11:34:20 +01:00
3ace3f5b57 Add propynal 2020-02-17 11:34:20 +01:00
0dd4192e5e Add isobutene 2020-02-17 11:34:20 +01:00
5fbeceb3b2 Add cyanoformaldehyde 2020-02-17 11:34:20 +01:00
d3097ba650 Add acetone 2020-02-17 11:34:20 +01:00
3a30dff715 Add glyoxal 2020-02-17 11:34:20 +01:00
85db06c9eb Add butadiene 2020-02-17 11:34:20 +01:00
dc8b8aa11d Add acrolein 2020-02-17 11:34:20 +01:00
a879e34ad9 Add methylenecyclopropene 2020-02-17 11:34:20 +01:00
88c248a9b1 Add cyclopropenethione 2020-02-17 11:34:20 +01:00
0df188795f Add cyclopropenone 2020-02-17 11:34:20 +01:00
f72d203ad0 Add diacetylene 2020-02-17 11:34:20 +01:00
5624a86b94 Add cyanogen 2020-02-17 11:34:20 +01:00
84f8aa7797 Add cyanoacetylene 2020-02-17 11:34:20 +01:00
3392541191 Fix diacetylene 2020-02-17 11:34:19 +01:00
ea1a3306ee Add DOI for TBE 2020-02-17 11:34:19 +01:00
d1d3661d48 Add missing geometry and code 2020-02-17 11:34:19 +01:00