Ab initio potential energy surface and quantum dynamics for the H + CH4 → H2 + CH3 reaction-Reference-Cited by-同舟云学术

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Ab initio potential energy surface and quantum dynamics for the H + CH4 → H2 + CH3 reaction

Published:2011-02-14 Issue:6 Volume:134 Page:064323
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Zhou Yong,Fu Bina,Wang Chunrui,Collins Michael A.,Zhang Dong H.

Funder

National Natural Science Foundation of China

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.3552088

Reference73 articles.

1. Rate Coefficients in the C/H/O System

2. ESR Study of the Kinetic Isotope Effect in the Reaction of H and D Atoms with CH4

3. Direct rate constant measurements for atomic hydrogen + methane .fwdarw. methyl + hydrogen, 897-1729 K, using the flash photolysis-shock tube technique

4. Evaluated Kinetic Data for Combustion Modelling

5. Effects of C–H stretch excitation on the H+CH4 reaction

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1. Quantum dynamics study of C—H stretching vibrational excitation in the F+CHD<sub>3</sub> → HF+CD<sub>3</sub> reaction;Acta Physica Sinica;2024

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3. Initial state-selected scattering for the reactions H + CH₄/CHD₃ and F + CHD₃ employing ring polymer molecular dynamics;The Journal of Chemical Physics;2022-01-28

4. Interpolation Methods for Molecular Potential Energy Surface Construction;The Journal of Physical Chemistry A;2021-11-03

5. Efficient Approximation of Potential Energy Surfaces with Mixed-Basis Interpolation;Journal of Chemical Theory and Computation;2021-08-05

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