A Theoretical Study of H-Abstractions of Benzaldehyde by H, O3(P), 3O2, OH, HO2, and CH3 Radicals: Ab Initio Rate Coefficients and Their Uncertainty Quantification-Reference-Cited by-同舟云学术

A Theoretical Study of H-Abstractions of Benzaldehyde by H, O³(P), ³O₂, OH, HO₂, and CH₃ Radicals: Ab Initio Rate Coefficients and Their Uncertainty Quantification

Published:2022-10-10 Issue:41 Volume:126 Page:7523-7533
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Zhao Hao¹,Zhang Yingjia¹^ORCID,Zhao Qian¹^ORCID,Li Yang²,Huang Zuohua¹

Affiliation:

1. State Key Laboratory of Multiphase Flow in Power Engineering, Xi’an Jiaotong University, Xi’an710049, China

2. Science and Technology on Combustion, Internal Flow and Thermostructure Laboratory, School of Astronautics, Northwestern Polytechnical University, Xi’an710072, China

Funder

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.2c02384

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2. New experimental evidence and modeling study of the ethylbenzene oxidation

3. Impact of increasing methyl branches in aromatic hydrocarbons on diesel engine combustion and emissions