Abstract
A combination of canonical variational transition-state-theory and multidimensional tunneling was used to test three implicit potential energy surfaces with specific reaction parameters (SRP) that were developed in a previous study for reaction R1. Kinetic isotope effects (KIEs) for various isotopic versions of the reaction CH4+H↔CH3+H2 involving deuterated methane, deuterium, and muounium atom were investigated. The resultant data were analyzed in detail.
Original language | English (US) |
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Pages (from-to) | 10675-10687 |
Number of pages | 13 |
Journal | Journal of Chemical Physics |
Volume | 117 |
Issue number | 23 |
DOIs | |
State | Published - Dec 15 2002 |