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...

Descripción completa

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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6269814/
https://www.ncbi.nlm.nih.gov/pubmed/23884124
http://dx.doi.org/10.3390/molecules18077873

Ejemplares similares