Ring-polymer molecular dynamics study on rate coefficient of the barrierless OH + CO system at low temperature-Reference-Cited by-同舟云学术

Ring-polymer molecular dynamics study on rate coefficient of the barrierless OH + CO system at low temperature

Published:2019-01-28 Issue:4 Volume:150 Page:044307
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Meng Qingyong¹^ORCID,Chen Jun²³^ORCID

Affiliation:

1. Department of Applied Chemistry, Northwestern Polytechnical University, Youyi West Road 127, 710072 Xi’an, China

2. iChEM, College of Chemistry and Chemical Engineering, Xiamen University, Siming South Road 422, 361005 Xiamen, China

3. State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Zhongshan Road 457, 116023 Dalian, China

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/10.1063/1.5065657

Reference36 articles.

1. Chemical Kinetics and Combustion Modeling

2. Kinetic study of the reaction of OH with CO from 250 to 1040 K

3. Kinetics of OH(v= 0, 1) and OD(v= 0, 1) with CO and the mechanism of the OH + CO reaction

4. Energy and structure of the transition states in the reaction OH + CO ? H + CO2

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1. Theoretical H + O3 rate coefficients from ring polymer molecular dynamics on an accurate global potential energy surface: assessing experimental uncertainties;Physical Chemistry Chemical Physics;2021

2. Semiclassical transition state theory/master equation kinetics of HO + CO: Performance evaluation;International Journal of Chemical Kinetics;2020-09-02

3. Revisiting the Gaussian process regression for fitting high-dimensional potential energy surface and its application to the OH + HO2→O2+ H2O reaction;The Journal of Chemical Physics;2020-04-07