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benzene update benzene furan 2020-12-12 09:13:25 +01:00
cyclopentadiene Update outputs 2020-12-17 09:21:54 +01:00
Data update nb 2020-12-08 21:16:56 +01:00
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pyrazine/cc-pvdz Update outputs 2020-12-17 09:21:54 +01:00
pyridazine/cc-pvdz Restart localized pyridazine 2020-12-15 10:09:56 +01:00
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pyrimidine/cc-pvdz restart pyrimidine 2020-12-17 13:48:44 +01:00
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tetrazine/cc-pvdz Update outputs 2020-12-17 09:21:54 +01:00
thiophene/cc-pvdz Update outputs 2020-12-17 09:21:54 +01:00
triazine/cc-pvdz Update outputs 2020-12-17 09:21:54 +01:00
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README.md first commit 2020-10-26 21:56:59 +01:00