Ab Initio and Quasiclassical Trajectory Study of the O(3P) + 2-Propanol Hydrogen Abstraction Reaction
Author:
Affiliation:
1. Department of Chemistry, Virginia Tech, 1040 Drillfield Dr., Blacksburg, Virginia 24061, United States
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.9b06065
Reference49 articles.
1. Theoretical Studies of Polyatomic Bimolecular Reaction Dynamics
2. Crossed beams and theoretical studies of the O(3P)+CH4→H+OCH3 reaction excitation function
3. Quasiclassical Trajectory Study of the O(3P) + CH4 → OH + CH3 Reaction with a Specific Reaction Parameters Semiempirical Hamiltonian
4. Theoretical Studies of the O(3P) + Methane Reaction
5. Dynamics of the O(3P) + CHD3(vCH = 0,1) reactions on an accurate ab initio potential energy surface
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