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Ec/imidazole/cc-pvtz
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Mickaël Véril 4a439546c5 update output and new calculation pyridine and pyrimidine
2020-11-08 12:08:44 +01:00
..
imidazole.fc.out
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
imidazole.xyz
run_fci.sh
slurm-487477.out update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00