Mechanism and Kinetics of Methane Combustion. Part II: Potential Energy Surface for Hydrogen-Abstraction Reaction of CH4 + O(3P)-Reference-Cited by-同舟云学术

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Mechanism and Kinetics of Methane Combustion. Part II: Potential Energy Surface for Hydrogen-Abstraction Reaction of CH₄ + O(³P)

Published:2022-03-17 Issue:12 Volume:126 Page:1946-1959
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Peng Ya¹^ORCID,Zhang Hui¹

Affiliation:

1. Department of Engineering Physics, Tsinghua University, Beijing 100084, P.R. China

Funder

Ministry of Science and Technology of the People's Republic of China

Hightech Discipline Construction Fundings for Universities in Beijing

Key Lab of Functional Crystals and Laser Technology of TIPC, CAS

Beijing Key Laboratory of City Integrated Emergency Response Science

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.1c10860

Reference67 articles.

1. Bypassing the methane cycle

2. Methane—make it or break it

3. Improving reduced dimensionality quantum reaction dynamics with a generalized transition state. Application to CH4+O(3P)

4. Ab initiostudy of the O(1D)+CH4(X 1A1)→OH(X 2Π)+CH3(X 2A2″) reaction: Ground and excited potential energy surfaces

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1. Quantum dynamics study of the reaction H+SiH using a new potential energy surface of SiH2（11A′）;Acta Physica Sinica;2024

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