The hydrogen abstraction reaction O(3P) + CH4: A new analytical potential energy surface based on fit toab initiocalculations
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4864358
Reference69 articles.
1. Analytical potential energy surface for the CH4+O(3P)→CH3+OH reaction. Thermal rate constants and kinetic isotope effects
2. Accurate quantum dynamics of a combustion reaction: Thermal rate constants of O(3P)+CH4(X 1A1)→OH(X 2Π)+CH3(X 2A2″)
3. Theoretical Studies of the O(3P) + Methane Reaction
4. Seven-dimensional quantum dynamics study of the O(P3)+CH4 reaction
5. Ring Polymer Molecular Dynamics Calculations of Thermal Rate Constants for the O(3P) + CH4 → OH + CH3 Reaction: Contributions of Quantum Effects
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