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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| Format: | article |
| Language: | eng |
| Published: |
2002
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| Online Access: | http://hdl.handle.net/10316/10443 |
| Country: | Portugal |
| Oai: | oai:estudogeral.sib.uc.pt:10316/10443 |