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- W2391821273 abstract "The reaction mechanism of methanol dehydration to dimethyl ether was investigated by using B3LYP and MP2 methods with the 6-311++G(2df,pd) basis sets,and reaction channels were found.Geometries of the reactants,intermediates,transition states and products were optimized and IRC calculations were carried out.The calculated results successfully explained the conclusion of Highfield's experimental study.From the view of bond length and energy analysis,the changes of chemical bonds in the reactions were discussed,which would be helpful for the experimental research of the synthetic dimethyl ether chemistry." @default.
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- W2391821273 date "2011-01-01" @default.
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- W2391821273 title "Studies on the Reaction Mechanism of Methanol Dehydration to Dimethyl Ether" @default.
- W2391821273 hasPublicationYear "2011" @default.
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