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Discussions on “On the number of modes required for statistical energy analysis-based calculations”

✍ Scribed by C. Wang; J.C.S. Lai

Publisher
Elsevier Science
Year
2005
Tongue
English
Weight
198 KB
Volume
281
Category
Article
ISSN
0022-460X

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📜 SIMILAR VOLUMES

Canonical statistical adiabatic channel
Canonical statistical adiabatic channel model calculations of the H + CH3 → CH4 recombination reaction on an ab initio potential energy surface. The role of the transitional modes
✍ 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