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Comprehensive Theoretical Studies on the Reaction of 1-Bromo-3,3,3-trifluoropropene with OH Free Radicals

The potential energy surfaces (PES) for the reaction of 1-bromo-3,3,3-trifluoropropene (CF(3)CHCBrH) with hydroxyl (OH) free radicals is probed theoretically at the CCSD/aug-cc-pVDZ//B3LYP/6-311++G(d,p) level of theory. All the possible stationary and first-order saddle points along the reaction pat...

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Detalles Bibliográficos
Autores principales:	Zhang, Meiling, Song, Ce, Tian, Yan
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2013
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6269814/ https://www.ncbi.nlm.nih.gov/pubmed/23884124 http://dx.doi.org/10.3390/molecules18077873

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