Article ID Journal Published Year Pages File Type
5363122 Applied Surface Science 2013 8 Pages PDF
Abstract
► Density functional theory is used to investigate the decomposition mechanisms. ► The energy barriers of the possible elementary reactions involved are obtained. ► CH bond scission is favored to the NH bond. ► BEP correction was found for CH/NH bond scission reactions.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Theoretical study of the adsorption and dissociation mechanism for methylamine on Pd(1 1 1)
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