The importance of an accurate CH4 vibrational partition function in full dimensionality calculations of the H+CH4→H2+CH3 reaction
- 1 June 2001
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 114 (21) , 9683-9684
- https://doi.org/10.1063/1.1370944
Abstract
The full dimensional rate constant reported by Huarte-Larrañaga and Manthe for the H+CH4→H2+CH3 reaction [Huarte-Larrañaga and Manthe, J. Chem. Phys. 113, 5115 (2000)] is corrected by using an accurate vibrational partition function for CH4 instead of the harmonic normal-mode one used by them. The correction is shown to be substantial over the temperature range considered by Huarte-Larrañaga and Manthe.Keywords
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