Quasi-Classical Trajectory Dynamics Study of the Cl(2P) + C2H6 → HCl(v,j) + C2H5 Reaction. Comparison with Experiment
Author:
Affiliation:
1. Departamento de Química Física and Instituto de Computacion Cientifica Avanzada, Universidad de Extremadura, 06071 Badajoz, Spain
2. Departamento de Química Física, Universidad de Santiago de Compostela, Santiago de Compostela, Spain
Funder
Gobierno de Extremadura
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.8b00149
Reference41 articles.
1. Full-dimensional analytical potential energy surface describing the gas-phase Cl + C2H6 reaction and kinetics study of rate constants and kinetic isotope effects
2. Concepts in reaction dynamics
3. Dynamics for the Cl+C2H6→HCl+C2H5 reaction examined through state‐specific angular distributions
4. Angular Distributions for the Cl + C2H6 → HCl + C2H5 Reaction Observed via Multiphoton Ionization of the C2H5 Radical
5. Rotational distribution of the HCl products from the reaction of Cl(2P) atoms with methanol
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1. Dynamics of the Cl + CH3CN reaction on an automatically-developed full-dimensional ab initio potential energy surface;The Journal of Chemical Physics;2024-08-28
2. Dynamics of the HCl + C2H5 Multichannel Reaction on a Full-Dimensional Ab Initio Potential Energy Surface;The Journal of Physical Chemistry A;2024-05-29
3. ManyHF-based full-dimensional potential energy surface development and quasi-classical dynamics for the Cl + CH3NH2 reaction;The Journal of Chemical Physics;2023-10-04
4. The CN(X 2Σ+) + C2H6 reaction: Dynamics study based on an analytical full-dimensional potential energy surface;The Journal of Chemical Physics;2023-09-26
5. Vibrational mode-specificity in the dynamics of the Cl + C2H6 → HCl + C2H5 reaction;The Journal of Chemical Physics;2021-09-21
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