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Mode Selectivity for a “Central” Barrier Reaction: Eight-Dimensional Quantum Studies of the O( 3 P) + CH 4 → OH + CH 3 Reaction on an Ab Initio Potential Energy Surface

✍ Scribed by Liu, Rui; Yang, Minghui; Czakó, Gábor; Bowman, Joel M.; Li, Jun; Guo, Hua


Book ID
126246582
Publisher
American Chemical Society
Year
2012
Tongue
English
Weight
856 KB
Volume
3
Category
Article
ISSN
1948-7185

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📜 SIMILAR VOLUMES


Canonical statistical adiabatic channel
✍ C. J. Cobos 📂 Article 📅 1989 🏛 John Wiley and Sons 🌐 English ⚖ 517 KB

The canonical formalism of the statistical adiabatic channel model is used to calculate limiting high pressure rate constants for the H + CH, + CH4 recombination reaction on a recently reported analytic potential energy surface based on ab initio calculations. An effective adiabatic channel potentia