Theoretical study of the reactions CF3CH2OCHF2 + OH/Cl and its product radicals and parent ether(CH3CH2OCH3) with OH

A dual-level direct dynamic method is employed to study the reaction mechanisms of CF3CH2OCHF2 (HFE-245fa2; HFE-245mf) with the OH radicals and Cl atoms. Two hydrogen abstraction channels and two displacement processes are found for each reaction. For further study, the reaction mechanisms of its pr...

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Veröffentlicht in:	Journal of computational chemistry. - 1984. - 29(2008), 4 vom: 15. März, Seite 550-61
1. Verfasser:	Yang, Lei (VerfasserIn)
Weitere Verfasser:	Liu, Jing-Yao, Wang, Li, He, Hong-Qing, Wang, Ying, Li, Ze-Sheng
Format:	Online-Aufsatz
Sprache:	English
Veröffentlicht:	2008
Zugriff auf das übergeordnete Werk:	Journal of computational chemistry
Schlagworte:	Journal Article Chlorides Fluorine Compounds Free Radicals Water 059QF0KO0R Ether 0F5N573A2Y