QUANTITATIVE QUANTUM DYNAMICS CALCULATION OF H2 + CH3 → H + CH4 REACTION
Author:
Affiliation:
1. Department of Chemistry, New York University, NY 10003, New York
Abstract
Publisher
World Scientific Pub Co Pte Lt
Subject
Computational Theory and Mathematics,Physical and Theoretical Chemistry,Computer Science Applications
Link
https://www.worldscientific.com/doi/pdf/10.1142/S0219633602000026
Reference20 articles.
1. Quantum reactive scattering via the S‐matrix version of the Kohn variational principle: Differential and integral cross sections for D+H2 →HD+H
2. The application of time-dependent wavepacket methods to reactive scattering
3. Scattering Theory and Dynamics: Time-Dependent and Time-Independent Methods
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1. Full dimensional time-dependent quantum dynamics study of the H+NH3→H2+NH2 reaction;The Journal of Chemical Physics;2008-08-14
2. Seven dimensional quantum dynamics study of the H2+NH2→H+NH3 reaction;The Journal of Chemical Physics;2007-11-14
3. Computational Chemistry of Polyatomic Reaction Kinetics and Dynamics: The Quest for an Accurate CH5 Potential Energy Surface;Chemical Reviews;2007-10-31
4. Quantum dynamics study of H+NH3→H2+NH2 reaction;The Journal of Chemical Physics;2007-06-21
5. Comparison of quantum and mixed quantum–classical semirigid vibrating rotor target studies for isotopic reactions H(D,T)+CH4→HH(D,T)+CH3;The Journal of Chemical Physics;2003-11-08
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