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Theoretical Study of the C(2)H(5) + HO(2) Reaction: Mechanism and Kinetics

The mechanism and kinetics for the reaction of the HO(2) radical with the ethyl (C(2)H(5)) radical have been investigated theoretically. The electronic structure information of the potential energy surface (PES) is obtained at the MP2/6-311++G(d,p) level of theory, and the single-point energies are...

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Detalles Bibliográficos
Autores principales:	Wu, Nan-Nan, Zhang, Ming-Zhe, Ou-Yang, Shun-Li, Li, Liang
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2018
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6222642/ https://www.ncbi.nlm.nih.gov/pubmed/30071619 http://dx.doi.org/10.3390/molecules23081919

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