Cited by 29Zeolite Catalysis and SynthesisAdvanced Chemical Physics StudiesCatalysis and Oxidation Reactions

First principles location of the transition state for formation of dimethyl ether in a zeolite

Sandré, Eric, Payne, Michael C., Gale, Julian D.·1998·Chemical Communications

Abstract

A new transition state searching algorithm has been used to determine the mechanism for methanol condensation to form dimethyl ether within the microporous environment of the zeolite, chabazite, using periodic boundary conditions and density functional theory.

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Crossref · 10.1039/a806437g

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7 of 7 references verified0 citation errors · 0 not checkable

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Authors
Sandré, E., Payne, M. C., & Gale, J. D.
Affiliations
Imperial College London (GB)
Venue
Chemical Communications
Published
1998
Issue
22
Pages
2445-2446
ISSN
  • 1359-7345 (ISSN-L)
  • 1364-548X
OpenAlex
W2023935100
Cited by
29
References
7
Citations by year
2025: 1 · 2023: 2 · 2022: 1 · 2021: 1 · 2020: 1 · 2018: 1 · 2016: 1 · 2013: 1
FWCI
1.46
Type
journal article
Language
en
Open access
closed
Locations
Chemical Communications (publishedVersion)
Topics
  • Physical Sciences › Chemistry › Inorganic Chemistry › Zeolite Catalysis and Synthesis
  • Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Advanced Chemical Physics Studies
  • Physical Sciences › Chemical Engineering › Catalysis › Catalysis and Oxidation Reactions
Keywords
dimethyl ether synthesis, chabazite zeolite, transition state, reaction mechanism, zeolite catalysis, periodic boundary conditions

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