Commit Graph

21 Commits

Author SHA1 Message Date
c34f067956 Update outputs 2021-01-18 10:31:30 +01:00
236b6c2098 Update outputs 2020-12-24 15:33:57 +01:00
f8d47d66d7 Update outputs 2020-12-17 09:21:54 +01:00
7ca70a88bd Update outputs 2020-12-15 10:03:39 +01:00
69b10b4854 Restart localized for cyclopentadiene 2020-12-10 11:34:29 +01:00
f7b1cb369f Update files 2020-12-05 15:36:29 +01:00
8b3333a9d3 Update outputs 2020-11-30 09:58:00 +01:00
4a287677e7 Update outputs 2020-11-20 11:01:37 +01:00
c5e680b63a Update outputs 2020-11-19 10:52:40 +01:00
ab67b8b224 Update outpus 2020-11-18 10:01:08 +01:00
21a4c1d900 Add localization failed slurm file 2020-11-17 10:16:13 +01:00
bb8aada7f2 Add preparation files for localization of cyclopentadiene 2020-11-17 10:13:38 +01:00
4a439546c5 update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00
4aeba658f6 Update output files 2020-11-05 11:14:40 +01:00
c9b5d4a455 Update cyclopentadiene and imidazole 2020-11-04 08:56:32 +01:00
186ff52171 out update 2020-11-03 10:20:46 +01:00
f06a8b89b2 Update out 2020-10-29 14:57:16 +01:00
b8ca07ea4a Add all out for cyclopentadiene 2020-10-28 11:22:31 +01:00
d1216bbb33 Add firsts output of cyclopentadiene cc-pvdz 2020-10-27 11:04:04 +01:00
fbfb5d99d6 Add cyclopentadiene.xyz 2020-10-27 10:21:05 +01:00
2487
8924440d7f cyclopentadiene 2020-10-27 09:42:09 +01:00