Theoretical studies of the reactions of CF3CHCLOCHF2/CF3CHFOCHF2 with OH radical and Cl atom and their product radicals with OH

The mechanisms and dynamics studies of the OH radical and Cl atom with CF(3)CHClOCHF(2) and CF(3)CHFOCHF(2) have been carried out theoretically. The geometries and frequencies of all the stationary points are optimized at the B3LYP/6-311G(d,p) level, and the energy profiles are further refined by in...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Journal of computational chemistry. - 1984. - 30(2009), 4 vom: 15. März, Seite 565-80
1. Verfasser:	Yang, Lei (VerfasserIn)
Weitere Verfasser:	Liu, Jing-Yao, Wan, Su-Qin, Li, Ze-Sheng
Format:	Online-Aufsatz
Sprache:	English
Veröffentlicht:	2009
Zugriff auf das übergeordnete Werk:	Journal of computational chemistry
Schlagworte:	Journal Article