Accurate Full-Dimensional Global Diabatic Potential Energy Matrix for the Two Lowest-Lying Electronic States of the H + O2 ↔ HO + O Reaction
| Autor: | Junyan Wang, Feng An, Junjie Chen, Xixi Hu, Hua Guo, Daiqian Xie |
|---|---|
| Rok vydání: | 2023 |
| Předmět: | |
| Zdroj: | Journal of Chemical Theory and Computation. 19:2929-2938 |
| ISSN: | 1549-9626 1549-9618 |
| DOI: | 10.1021/acs.jctc.3c00291 |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|