Correlated Dynamics of the O(3P) + CHD3(v=0) Reaction: A Joint Crossed-Beam and Quasiclassical Trajectory Study
Author:
Affiliation:
1. Institute of Atomic and Molecular Sciences (IAMS), Academia Sinica, P.O. Box 23-166, Taipei, Taiwan 10617
2. Laboratory of Molecular Structure and Dynamics, Institute of Chemistry, Eötvös University, P.O. Box 32, H-1518 Budapest 112, Hungary
Funder
Ministry of Science and Technology, Taiwan
Magyar Tudományos Akadémia
Academia Sinica
Országos Tudományos Kutatási Alapprogramok
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp510377k
Reference47 articles.
1. Evaluated Kinetic Data for Combustion Modelling
2. Reaction Dynamics of Methane with F, O, Cl, and Br on ab Initio Potential Energy Surfaces
3. Ring Polymer Molecular Dynamics Calculations of Thermal Rate Constants for the O(3P) + CH4 → OH + CH3 Reaction: Contributions of Quantum Effects
4. Theoretical Kinetics Study of the O(3P) + CH4/CD4 Hydrogen Abstraction Reaction: The Role of Anharmonicity, Recrossing Effects, and Quantum Mechanical Tunneling
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