Description
This dataset contains the cartesian coordinates of the optimized minima and transition states for the reactions under study, in XYZ format. ASW references to the amorphous solid water model, CWS to the crystalline water surface model, and GAS to the reactions studied under gas-phase conditions.
Resources
| Name | Format | Description | Link |
|---|---|---|---|
| Unknown Resource | Unknown | Open resource | |
| Unknown Resource | Unknown | Open resource |