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29011357cb
Ec/pyrimidine/cc-pvdz
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Mickaël Véril 29011357cb Update outputs
2020-11-10 09:34:31 +01:00
..
pyrimidine.fc.out update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00
pyrimidine.fci.out update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00
pyrimidine.natorb.out update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00
pyrimidine.nofci.out Update outputs 2020-11-10 09:34:31 +01:00
pyrimidine.scf.out update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00
pyrimidine.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-490240.out Update outputs 2020-11-10 09:34:31 +01:00