Thermal Rate Coefficients and Kinetic Isotope Effects for the Reaction OH + CH4 → H2O + CH3 on an ab Initio-Based Potential Energy Surface
Author:
Affiliation:
1. School of Chemistry and Chemical Engineering, Chongqing University, Chongqing 401331, China
2. Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131, United States
Funder
U.S. Department of Energy
National Natural Science Foundation of China
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.8b01201
Reference70 articles.
1. Adiabatic Connection for Kinetics
2. QCT dynamics study of the reaction of hydroxyl radical and methane using a new ab initio fitted full-dimensional analytical potential energy surface
3. Communication: An accurate full 15 dimensional permutationally invariant potential energy surface for the OH + CH4 → H2O + CH3 reaction
4. Hydroxyl Radical Kinetics by Kinetic Spectroscopy. IV. Some Deuterium Isotope Effects
5. Flash photolysis of water vapor in methane. Hydrogen and hydroxyl yields and rate constants for methyl reactions with hydrogen and hydroxyl
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