Published September 8, 2023
| Version v1
Dataset
Open
Oxydation of the chromophore group in Venus66azF. Structures at minima on the potential energy surface.
Authors/Creators
- 1. Lomonosov Moscow State University
Description
Minima on the potential energy surface obtained at the QM(PBE0-D3/6-31G*)/MM(AMBER) level.
Th reaction path is REAC ->INT1 -> INT2 -> PROD