Article ID Journal Published Year Pages File Type
5389020 Chemical Physics Letters 2007 7 Pages PDF
Abstract
Theoretical investigations are carried out on the reactions Cl + CH3COCCl2X (X = F, Cl, Br) by means of direct dynamics method at the MC-QCISD//MP2/6-31+G(d,p) level. The rate constants are calculated by CVT with SCT correction in the temperature range 200-3000 K.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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