Theoretical investigations on mechanisms and kinetics of CH2XO2 (X=F, Cl) with Cl reaction in the atmosphere
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-020-4318-7
Abstract: The reactions of the CH2XO2 (X=F, Cl) with chlorine radical have been firstly investigated utilizing the BMC-CCSD//B3LYP method. The comprehensive calculations indicate that the association-elimination and SN2 displacement reaction mechanisms existed on the singlet potential… read more here.
Keywords: ch2xo2 reactions; investigations mechanisms; im1x ch2xoocl; reaction ... See more keywords