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- W2368686013 abstract "By means of the density functional theory and G3 method,the reaction between COS and OH radical has been studied.The geometries for the transition states,intermediates,reactants and the products have been completely optimized at B3LYP/6-31G~*,B3LYP/6-311~(++)G ~(**) and G3 computational levels.All the transition states have been verified by the vibrational analyses and the internals reaction coordinate calculations.Therefore,the results of this theoretical study indicate that the products of the reaction are CO and SOH." @default.
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- W2368686013 date "2006-01-01" @default.
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- W2368686013 title "Theoretical Study on Reaction between COS and OH" @default.
- W2368686013 hasPublicationYear "2006" @default.
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