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DFT study of nitrided zeolites: Mechanism of nitrogen substitution in HY and silicalite

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dc.contributor.authorAgarwal, V
dc.contributor.authorHuber, GW
dc.contributor.authorConner, WC
dc.contributor.authorAuerbach, SM
dc.date2023-09-22T22:22:17.000
dc.date.accessioned2024-04-26T08:56:20Z
dc.date.available2024-04-26T08:56:20Z
dc.date.issued2010-01-01
dc.description.pages53-63
dc.identifier.doihttps://doi.org/10.1016/j.jcat.2009.10.015
dc.identifier.urihttps://hdl.handle.net/20.500.14394/6063
dc.relation.ispartofJOURNAL OF CATALYSIS
dc.source.issue1
dc.source.issue269
dc.source.statuspublished
dc.subjectNitrided zeolites, Solid base catalysts, Ammonolysis, Mechanism, Nudged elastic band, ONIOM, Density-functional theory,
dc.titleDFT study of nitrided zeolites: Mechanism of nitrogen substitution in HY and silicalite
dc.typearticle
dc.typearticle
digcom.contributor.authorAgarwal, V
digcom.contributor.authorHuber, GW
digcom.contributor.authorisAuthorOfPublication|email:wconner@ecs.umass.edu|Conner, WC
digcom.contributor.authorAuerbach, SM
digcom.identifierche_faculty_pubs/78
digcom.identifier.contextkey1676812
digcom.identifier.submissionpathche_faculty_pubs/78
dspace.entity.typePublication
relation.isAuthorOfPublicationf9a46f2c-7f99-4509-8e0a-b5100c4817e0
relation.isAuthorOfPublication.latestForDiscoveryf9a46f2c-7f99-4509-8e0a-b5100c4817e0
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