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A Hierarchical Theoretical Study of the Hydrogen Abstraction Reactions of H(2)/C(1)–C(4) Molecules by the Methyl Peroxy Radical and Implications for Kinetic Modeling

[Image: see text] The hydrogen atom abstraction by the methyl peroxy radical (CH(3)O(2)) is an important reaction class in detailed chemical kinetic modeling of the autoignition properties of hydrocarbon fuels. Systematic theoretical studies are performed on this reaction class for H(2)/C(1)–C(4) fu...

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Detalles Bibliográficos
Autores principales:	Xu, Shenying, Liang, Jinhu, Cao, Shutong, He, Ruining, Yin, Guoliang, Wang, Quan-De
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2022
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8928341/ https://www.ncbi.nlm.nih.gov/pubmed/35309437 http://dx.doi.org/10.1021/acsomega.1c06683

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