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- W2362148946 abstract "The reaction mechanism of the 1CCl2 with O2 was studied theoretically at the B3LYP/6-311++G(d,p) level on the singlet potential energy surface.All structures of reactants,intermediates,transition states and products were optimized and their energies were obtained.It was found that the reaction possesses four product channels: CO2+Cl2,CO2+2Cl,ClCO+ClO,CO+Cl2O,and the former two channels were major." @default.
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- W2362148946 date "2011-01-01" @default.
- W2362148946 modified "2023-09-24" @default.
- W2362148946 title "Theoretical calculation of the ~1CCl_2+O_2 reaction mechanism" @default.
- W2362148946 hasPublicationYear "2011" @default.
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