Ab Initio/Transition-State Theory Study of the Reactions of Ċ5H9 Species of Relevance to 1,3-Pentadiene, Part I: Potential Energy Surfaces, Thermochemistry, and High-Pressure Limiting Rate Constants-Reference-Cited by-同舟云学术

Ab Initio/Transition-State Theory Study of the Reactions of Ċ5H9 Species of Relevance to 1,3-Pentadiene, Part I: Potential Energy Surfaces, Thermochemistry, and High-Pressure Limiting Rate Constants

Published:2019-09-30 Issue:42 Volume:123 Page:9019-9052
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Sun Yanjin¹^ORCID,Zhou Chong-Wen¹²,Somers Kieran P.¹^ORCID,Curran Henry J.¹^ORCID

Affiliation:

1. Combustion Chemistry Centre, School of Chemistry, Martin Ryan Institute MaREI, National University of Ireland, Galway H91 TK33, Ireland

2. School of Energy and Power Engineering, Beihang University, Beijing 100191, P. R. China

Funder

Beihang University

Science Foundation Ireland

China Scholarship Council

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.9b06628

Reference87 articles.

1. Compositional effects on the ignition of FACE gasolines

2. Determination of and Fuel Structure Effects on Laminar Flame Speeds of C1to C8Hydrocarbons

3. Conformational Thermodynamic and Kinetic Parameters of Methyl-Substituted 1,3-Butadienes

4. An experimental study of fuel-rich 1,3-pentadiene and acetylene/propene flames

5. Kinetic study of 1-butene oxidation in a jet-stirred flow reactor

Cited by 20 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. An experimental and kinetic modeling study of the auto-ignition delay times of trimethyl phosphate-in-air mixtures;Applications in Energy and Combustion Science;2024-03

2. High-resolution infrared spectroscopy of jet cooled cyclobutyl in the α-CH stretch region: large-amplitude puckering dynamics in a 4-membered ring radical;Physical Chemistry Chemical Physics;2024

3. Effect of methyl substituent on adamantane pyrolysis at atmospheric and high pressure: A combined experimental and theoretical study;Journal of Analytical and Applied Pyrolysis;2024-01

4. Probing the Thermochemistry Properties and Rate Kinetics of Trimethyl Phosphate (TMP): An H-Atom Abstraction (HAA) Reactions Perspective;ACS Omega;2023-12-04

5. Targeted Catalytic Cracking to Olefins (TCO): Reaction Mechanism, Production Scheme, and Process Perspectives;Engineering;2023-11