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2020-11-14 10:54:19 +01:00
benzene update benzene loc 2020-11-14 10:54:19 +01:00
cyclopentadiene update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00
furan update benzene loc 2020-11-14 10:51:02 +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 2020-11-12 11:07:54 +01:00
pyridazine/cc-pvdz Update outputs 2020-11-12 11:07:54 +01:00
pyridine/cc-pvdz Update outputs 2020-11-12 11:07:54 +01:00
pyrimidine/cc-pvdz Update outputs 2020-11-12 11:07:54 +01:00
pyrrole/cc-pvdz Add pyrrole 2020-11-12 11:07:00 +01:00
tetrazine/cc-pvdz Add tetrazine 2020-11-12 13:36:03 +01:00
thiophene/cc-pvdz Add thiophene 2020-11-12 16:05:56 +01:00
triazine/cc-pvdz Add triazine 2020-11-12 16:06:39 +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