|
|
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 |
|
|
|
bc3ddcd73d
|
Add first outputs for cyclopentadiene cc-pvtz
|
2020-10-27 11:20:24 +01:00 |
|
|
|
3b8e94e102
|
Add run and xyz for cyclopentadiene cc-pvtz
|
2020-10-27 11:18:34 +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 |
|
