Theoretical characterization of the minimum energy path for the reaction H+O2→HO2∗→HO+O
✍ Scribed by Walch, Stephen P.; Rohlfing, Celeste McMichael; Melius, Carl F.; Bauschlicher, Charles W.
- Book ID
- 120160065
- Publisher
- American Institute of Physics
- Year
- 1988
- Tongue
- English
- Weight
- 959 KB
- Volume
- 88
- Category
- Article
- ISSN
- 0021-9606
- DOI
- 10.1063/1.454466
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📜 SIMILAR VOLUMES
HO2 profiles in the thermal decomposition of H,02 in shock waves over the range 1000-1250 K were analyzed with respect to the reactions HO+HZOz+HOz+H20 (3) and HO+H0r~Hz0+02 (4). Reaction (3) shows a strong up-turn ofthe rate constant at temperatures near 800 K. Over the range 250-1250 K, k, can be
## Abstract This article describes an __ab initio__ investigation on the potential surfaces for one of the simplest hydrogen atom abstraction reactions, that is, HO + H~2~O ↔ H~2~O + OH. In accord with the findings in the previously reported theoretical investigations, two types of the hydrogen‐bon