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2020-11-10 09:34:31 +01:00
benzene loc furan 2020-11-05 10:29:28 +01:00
cyclopentadiene update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00
furan loc furan 2020-11-05 10:29:28 +01:00
imidazole update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00
Manuscript MP5 done 2020-11-06 00:00:45 +01:00
output MP5 2020-11-06 00:00:20 +01:00
pyrazine/cc-pvdz Update outputs 2020-11-10 09:34:31 +01:00
pyridazine/cc-pvdz Update outputs 2020-11-10 09:34:31 +01:00
pyridine/cc-pvdz Update outputs 2020-11-10 09:34:31 +01:00
pyrimidine/cc-pvdz Update outputs 2020-11-10 09:34:31 +01:00
CC_cc-pvdz.txt MP5 done 2020-11-06 00:00:45 +01:00
README.md first commit 2020-10-26 21:56:59 +01:00