Commit Graph

11 Commits

Author SHA1 Message Date
b3ff8d9044 inputs and outputs CBD and Be 2021-02-26 15:35:13 +01:00
26e290f4d6 inputs and outputs Be and CBD 2021-02-23 09:45:35 +01:00
593b35ca3e H2 Notebook 2021-01-21 18:34:43 +01:00
d0faf9f87a CBD outputs and inputs 2021-01-21 18:00:27 +01:00
230de50013 cbutadiene results q-chem 2021-01-15 11:21:40 +01:00
7eca342a8a rearrangement 2021-01-15 11:15:57 +01:00
3f84c3cc51 cbutadiene results 2021-01-15 11:10:58 +01:00
0d69af0648 output CBD SF-BSE 2021-01-07 14:35:16 +01:00
3df217e905 output cbutadiene SF-ADC 2021-01-07 14:30:25 +01:00
31259c7c5d cbutadiene_square 2020-12-09 08:31:57 +01:00
06754dc036 cbutadiene.xyz 2020-12-07 14:50:20 +01:00