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Commit Graph

95 Commits

Author SHA1 Message Date
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
8da9f6fff4 Update sets names 2020-01-29 17:20:34 +01:00
3b2776041d Delete not wanted file 2020-01-29 17:20:34 +01:00
e4bc15babe Fix bad DOI 2020-01-29 17:20:34 +01:00
b62e1f1a72 Fix infty not loadable with a rename 2020-01-29 17:20:34 +01:00
ceed877727 Add information for missing table 2020-01-29 17:20:34 +01:00
a1fd68d63c Add missing table 2020-01-29 17:20:34 +01:00
a2f04156a3 Add code for new CC3 files 2020-01-29 17:20:34 +01:00
f051f48b42 Add geometry for new files 2020-01-29 17:20:34 +01:00
b50c16e001 Replace CC3(FC) by CC3 2020-01-29 17:20:34 +01:00
b29ce581d2 Add DOI to new datas 2020-01-29 17:20:34 +01:00
68eac5baf5 Add Larger compounds table of supporting 2020-01-29 17:20:34 +01:00
0da83827b0 Add thioformaldehyde CC3 supporting 2020-01-29 17:20:34 +01:00
46a96c3329 Add Methanimine CC3 supporting 2020-01-29 17:20:34 +01:00
81ad786acd Add Formaldehyde CC3 supporting 2020-01-29 17:20:34 +01:00
ea27a61da6 Add Ethylene CC3 supporting 2020-01-29 17:20:34 +01:00
cc6f12852e Add acetylene CC3 supporting 2020-01-29 17:20:34 +01:00
9b9fa79d88 Add Carbon monoxide CC3 supporting 2020-01-29 17:20:34 +01:00
1e6248812c Fix Full FC in basis 2020-01-29 17:20:34 +01:00
7349f30380 Add Dinitrogen CC3 supporting 2020-01-29 17:20:34 +01:00
42f2712f67 Add hydrogen chloride CC3 supporting 2020-01-29 17:20:34 +01:00
8034c12340 Add ammonia CC3 supporting 2020-01-29 17:20:34 +01:00
ba3cc8382b Add hydrogen sulfide CC3 supporting 2020-01-29 17:20:34 +01:00
a8b14bba72 Add water CC3 supporting 2020-01-29 17:20:34 +01:00
705bc731bc Rename and fix TBE and TBE(FC) 2020-01-29 17:20:34 +01:00
7d2f503388 Add basis for TBE 2020-01-29 17:20:34 +01:00
3a72177129 Add code 2020-01-29 17:20:34 +01:00
8caf38678a Add geometry 2020-01-29 17:20:34 +01:00
fc6b536cab Replace method with expermental when is needed 2020-01-29 17:20:34 +01:00
e3fc183184 Add DOI 2020-01-29 17:20:34 +01:00
3c54772499 Rename exp 2020-01-29 17:20:34 +01:00
288a0a8650 Delete all Th and Theo 2020-01-29 17:20:34 +01:00
a650004aa9 Add TBE 2020-01-29 17:20:34 +01:00
575cb8d08c Add first vertical table 2020-01-29 17:20:34 +01:00
ae5b602ed6 Add thioformaldehyde 2020-01-29 17:20:34 +01:00
8be807fbd5 Add methanimine 2020-01-29 17:20:34 +01:00
ed13c31f36 Add formaldehyde 2020-01-29 17:20:34 +01:00
289853ddfb Add ethylene 2020-01-29 17:20:34 +01:00
e5a47f7ed7 Add acetylene 2020-01-29 17:20:34 +01:00
c30cb69997 Add carbon monoxide 2020-01-29 17:20:34 +01:00
8cb4cf8feb Add dinitrogen 2020-01-29 17:20:34 +01:00
6b227943ea Delete not wanted file and rename exp 2020-01-29 17:20:34 +01:00
02d948ea75 Add ammonia 2020-01-29 17:20:34 +01:00
0cef9b8935 Add Hydrogen sulfide 2020-01-29 17:20:34 +01:00
51651c4887 Rename exp and delete unnescesary files 2020-01-29 17:20:34 +01:00