An investigation of the F+H-2 reaction based on a full ab initio description of the open-shell character of the F(P-2) atom
Expanding on an earlier Communication [M. H. Alexander, H.-J. Werner, and D. E. Manolopoulos, J. Chem. Phys. 109, 5710 (1998)], we present here the full framework for the quantum treatment of . reactions of the fluorine atom with molecular hydrogen. This involves four potential energy surfaces (PESs...
| Autores principales: | , , |
|---|---|
| Formato: | Journal article |
| Lenguaje: | English |
| Publicado: |
2000
|