| state | TS1_SN1 | ||||
|---|---|---|---|---|---|
| attack | CH2 | PhC | |||
| oxide | propyleneoxide | styreneoxide | propyleneoxide | styreneoxide | |
| cat | chir | ||||
| cat1a-delta-SS | R | -3580.128089 | -3771.472694 | -3580.151960 | -3771.504476 |
| S | -3580.129948 | -3771.470686 | -3580.151868 | -3771.507631 | |
| cat1b-delta-SS | R | -2952.692244 | -3144.036818 | -2952.716754 | -3144.069769 |
| S | -2952.693682 | -3144.041689 | -2952.715609 | -3144.071976 | |
| cat2-delta-RR | R | -3563.552593 | -3754.893233 | -3563.570502 | -3754.926000 |
| S | nan | -3754.890710 | -3563.572092 | -3754.925862 | |
| cat2-lambda-RR | R | -3563.556132 | nan | -3563.578886 | -3754.934536 |
| S | nan | -3754.903905 | -3563.578098 | -3754.935933 | |