A VTST Study of the H + O3 and O + HO2 Reactions Using a Six-dimensional DMBE Potential Energy Surface for Ground State HO3
The variational transition state theory (VTST) is used to calculate thermal rate constants for the reactions H + O3 → OH + O2 (R1) and O + HO2 → OH + O2 (R2). Both reactions are studied using a double many-body expansion (DMBE) potential energy surface for ground state HO3. The VTST results are comp...
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| Formato: | article |
| Idioma: | eng |
| Publicado em: |
2002
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| Texto completo: | http://hdl.handle.net/10316/10443 |
| País: | Portugal |
| Oai: | oai:estudogeral.sib.uc.pt:10316/10443 |