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Theoretical Study of ClOO + NO Reaction: Mechanism and Kinetics

Theoretical investigations are performed on mechanism and kinetics of the reaction of halogen peroxy radical ClOO with NO radical. The electronic structure information for both of the singlet and triplet potential energy surfaces (PESs) is obtained at the MP2/6-311 + G(2df) level of theory, and the...

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Detalles Bibliográficos
Autores principales:	Wu, Nan-Nan, Ou-Yang, Shun-Li, Li, Liang
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2017
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6149737/ https://www.ncbi.nlm.nih.gov/pubmed/29194394 http://dx.doi.org/10.3390/molecules22122121

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