Local reactivity index as descriptor of benzene adsorption in cluster models of exchanged zeolite-Y

dc.contributor.author	Santos, J.
dc.contributor.author	Chamorro, E.
dc.contributor.author	Contreras, R.
dc.contributor.author	Fuentealba, P.
dc.date.accessioned	2021-06-02T05:14:13Z
dc.date.available	2021-06-02T05:14:13Z
dc.date.issued	2004-01
dc.description	Indexación: Scopus.	es
dc.description.abstract	The adsorption of benzene over sites I, II and III of Cu- and Na-exchanged zeolite-Y, has been studied using the energy profiles for the host-guess interaction, and electronic descriptors of reactivity such as the electronic chemical potential and a local σk index recently defined. Both, the energy and the reactivity index based models consistently complement each other to give a correct interpretation of the reactivity and selectivity patterns experimentally established for these systems.	es
dc.description.uri	https://www.sciencedirect.com/science/article/pii/S0009261403020803?via%3Dihub
dc.identifier.citation	Chemical Physics Letters, Volume 383, Issue 5-6, 15 January 2004, Pages 612-616	es
dc.identifier.doi	DOI: 10.1016/j.cplett.2003.11.083
dc.identifier.issn	0009-2614
dc.identifier.uri	http://repositorio.unab.cl/xmlui/handle/ria/18998
dc.language.iso	en	es
dc.publisher	Elsevier	es
dc.subject	Chemical Reactivity	es
dc.subject	Electronegativity	es
dc.subject	Parr	es
dc.subject	benzene	es
dc.subject	copper	es
dc.subject	sodium	es
dc.subject	zeolite	es
dc.title	Local reactivity index as descriptor of benzene adsorption in cluster models of exchanged zeolite-Y	es
dc.type	Artículo	es

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