Ec/pyridine/cc-pvdz
2020-11-08 12:08:44 +01:00
..
pyridine.fc.out update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00
pyridine.fci.out update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00
pyridine.natorb.out update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00
pyridine.nofci.out update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00
pyridine.scf.out update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00
pyridine.xyz Add pyridine and pyrimidine 2020-11-03 16:59:57 +01:00
run_fci.sh Add pyridine and pyrimidine 2020-11-03 16:59:57 +01:00
slurm-490268.out update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00