Ec/imidazole/cc-pvtz
2020-11-08 12:08:44 +01:00
..
imidazole.fc.out Add imidazole out 2020-10-28 11:47:46 +01:00
imidazole.fci.out out update 2020-11-03 10:20:46 +01:00
imidazole.natorb.out out update 2020-11-03 10:20:46 +01:00
imidazole.nofci.out update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00
imidazole.scf.out Add imidazole out 2020-10-28 11:47:46 +01:00
imidazole.xyz Add imidazole 2020-10-28 11:11:28 +01:00
run_fci.sh Add imidazole 2020-10-28 11:11:28 +01:00
slurm-487477.out update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00