Ec/pyridazine/cc-pvdz
2020-12-15 10:09:56 +01:00
..
localize.sh Localize pyridazine 2020-12-04 11:51:51 +01:00
pyridazine.ang Localize pyridazine 2020-12-04 11:51:51 +01:00
pyridazine.fc.out Update output files 2020-11-05 11:14:40 +01:00
pyridazine.fci.out update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00
pyridazine.localized.nofci.out Update outputs 2020-12-15 10:03:39 +01:00
pyridazine.mo Update files 2020-12-05 15:36:29 +01:00
pyridazine.natorb.out update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00
pyridazine.nofci.out Update outputs 2020-11-16 09:46:09 +01:00
pyridazine.scf.out Update output files 2020-11-05 11:14:40 +01:00
pyridazine.xyz Add pyridazine 2020-11-03 14:28:44 +01:00
run_fci.sh Add pyridazine 2020-11-03 14:28:44 +01:00
run_loc.sh Localize pyridazine 2020-12-04 11:51:51 +01:00
run_restart.sh Restart localized pyridazine 2020-12-15 10:09:56 +01:00
slurm-490138.out Update outputs 2020-11-16 09:46:09 +01:00
slurm-508181.out Update outputs 2020-12-15 10:03:39 +01:00