## Abstract The temperature and pressure dependence of the reaction of OH + CO has been modeled using the (energy‐resolved) master equation and RRKM theory. These calculations are based on the coupled‐cluster potential energy surface of Yu and co‐workers (Chem Phys Lett 349, 547–554, 2001). As is w
✦ LIBER ✦
Master equation modeling of wide range temperature and pressure dependence of CO + OH → products
✍ Scribed by Ameya V. Joshi; Hai Wang
- Publisher
- John Wiley and Sons
- Year
- 2005
- Tongue
- English
- Weight
- 244 KB
- Volume
- 38
- Category
- Article
- ISSN
- 0538-8066
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Elementary bimolecular processes that involve formation of a chemically activated intermediate species are common. We address the general problem of modeling these processes and describe the necessary and sufficient information that must be specified to assure that a kinetics model will extrapolate