An ab Initio/Transition State Theory Study of the Reactions of Ċ5H9 Species of Relevance to 1,3-Pentadiene, Part II: Pressure Dependent Rate Constants and Implications for Combustion Modeling
Author:
Affiliation:
1. Combustion Chemistry Centre, National University of Ireland, Galway, Ireland
2. School of Energy and Power Engineering, Beihang University, Beijing 100191, P. R. China
Funder
Beihang University
Ministry of Science and Technology of the People's Republic of China
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.0c02244
Reference69 articles.
1. 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
2. Reformulation and Solution of the Master Equation for Multiple-Well Chemical Reactions
3. Georgievskii, Y.; Klippenstein, S. J. MESS 2016, https://tcg.cse.anl.gov/papr/codes/mess.html.
4. Chemical Kinetic Data Base for Combustion Chemistry Part V. Propene
5. Reactions of vinyl and phenyl radicals with ethyne, ethene and benzene
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