A DFT study of the mechanism of H transfer during steam gasification

Published 2020 View Full Article

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Title
A DFT study of the mechanism of H transfer during steam gasification
Authors
Keywords
Density functional theory, Steam gasification, Hydrogen transfer, Aromaticity, Rate-determining step
Journal
COMBUSTION AND FLAME
Volume 219, Issue -, Pages 327-338
Publisher
Elsevier BV
Online
2020-06-20
DOI
10.1016/j.combustflame.2020.06.006

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