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Published in 2017 at "RSC Advances"
DOI: 10.1039/c7ra06313j
Abstract: Ethanol transformation to ethene and acetaldehyde over low- and high-spin state oxygenated Au-exchanged ZSM-5 zeolite has been investigated using a well-validated density functional method, M06-L. The reaction initiates from the ethanol O–H bond dissociation leading…
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Keywords:
acetaldehyde;
ethene;
oxygenated exchanged;
exchanged zsm ... See more keywords