The mechanism of transmethylation in anisole decomposition over Brønsted acid sites: density functional theory (DFT) study
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DOI: 10.1039/c7se00280g
Abstract: In this work, the mechanism and intrinsic reaction energy barriers of transmethylation, as the initial stage of catalytic and non-catalytic anisole decomposition, were investigated by Density Functional Theory (DFT). Molecular analyses indicated that methyl free… read more here.
Keywords: anisole decomposition; transmethylation; density functional; mechanism ... See more keywords