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2020-11-16 09:46:09 +01:00
benzene update T2 2020-11-10 20:33:15 +01:00
cyclopentadiene update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00
furan new script 2020-11-10 09:56:49 +01:00
imidazole update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00
Manuscript update Denis 2020-11-08 13:15:44 +01:00
output MP5 2020-11-06 00:00:20 +01:00
pyrazine/cc-pvdz Update outputs 2020-11-16 09:46:09 +01:00
pyridazine/cc-pvdz Update outputs 2020-11-16 09:46:09 +01:00
pyridine/cc-pvdz Update outputs 2020-11-16 09:46:09 +01:00
pyrimidine/cc-pvdz Update outputs 2020-11-16 09:46:09 +01:00
pyrrole/cc-pvdz Update outputs 2020-11-16 09:46:09 +01:00
tetrazine/cc-pvdz Update outputs 2020-11-16 09:46:09 +01:00
thiophene/cc-pvdz Update outputs 2020-11-16 09:46:09 +01:00
triazine/cc-pvdz Update outputs 2020-11-16 09:46:09 +01:00
CC_cc-pvdz.txt update Denis 2020-11-08 13:15:44 +01:00
README.md first commit 2020-10-26 21:56:59 +01:00