Impact of long-range electrostatic and dispersive interactions on theoretical predictions of adsorption and catalysis in zeolites

Published 2018 View Full Article

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Title
Impact of long-range electrostatic and dispersive interactions on theoretical predictions of adsorption and catalysis in zeolites
Authors
Keywords
Long-range interactions, Dispersion, Electrostatics, DFT, Zeolites, QM/MM
Journal
CATALYSIS TODAY
Volume 312, Issue -, Pages 51-65
Publisher
Elsevier BV
Online
2018-02-08
DOI
10.1016/j.cattod.2018.02.007

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