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Computational Screening of Structure-Directing Agents for the Synthesis of Pure Silica ITE Zeolite

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Computational Screening of Structure-Directing Agents for the Synthesis of Pure Silica ITE Zeolite

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León-Rubio, S.; Sastre Navarro, GI. (2020). Computational Screening of Structure-Directing Agents for the Synthesis of Pure Silica ITE Zeolite. The Journal of Physical Chemistry Letters. 11(15):6164-6167. https://doi.org/10.1021/acs.jpclett.0c01734

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Título: Computational Screening of Structure-Directing Agents for the Synthesis of Pure Silica ITE Zeolite
Autor: León-Rubio, Santiago SASTRE NAVARRO, GERMAN IGNACIO
Entidad UPV: Universitat Politècnica de València. Instituto Universitario Mixto de Tecnología Química - Institut Universitari Mixt de Tecnologia Química
Fecha difusión:
Resumen:
[EN] "Shape" was the first criterion claimed to explain the specificity between organic structure-directing agents (OSDAs) and zeolite micropores. With the advent of computational chemistry methods applied to study the ...[+]
Palabras clave: Computational chemistry , Zeolite , Template , SDAO , Microporous materials
Derechos de uso: Reserva de todos los derechos
Fuente:
The Journal of Physical Chemistry Letters. (issn: 1948-7185 )
DOI: 10.1021/acs.jpclett.0c01734
Editorial:
American Chemical Society
Versión del editor: https://doi.org/10.1021/acs.jpclett.0c01734
Código del Proyecto:
info:eu-repo/grantAgreement/Generalitat Valenciana//PROMETEO08%2F2008%2F130/ES/Química sostenible: Catalizadores moleculares y supramoleculares altamente selectivos, estables y energéticamente eficientes en reacciones químicas./
...[+]
info:eu-repo/grantAgreement/Generalitat Valenciana//PROMETEO08%2F2008%2F130/ES/Química sostenible: Catalizadores moleculares y supramoleculares altamente selectivos, estables y energéticamente eficientes en reacciones químicas./
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/RTI2018-101033-B-I00/ES/DISEÑO DE CATALIZADORES MULTIFUNCIONALES PARA LA CONVERSION EFICIENTE DE BIOGAS Y GAS NATURAL A HIDROCARBUROS DE INTERES INDUSTRIAL/
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/RTI2018-101784-B-I00/ES/NUEVOS MATERIALES ZEOLITICOS PARA PROCESOS DE SEPARACION SELECTIVA DE GASES, APLICACIONES MEDIOAMBIENTALES Y CONSERVACION DE ALIMENTOS/
info:eu-repo/grantAgreement/AEI//BES-2017-081245/
info:eu-repo/grantAgreement/MINECO//SEV-2016-068317-2/
info:eu-repo/grantAgreement/MINECO//SEV-2016-0683/
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Descripción: This document is the Accepted Manuscript version of a Published Work that appeared in final form in The Journal of Physical Chemistry Letters, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.jpclett.0c01734.
Agradecimientos:
We thank MICINN of Spain for funding through projects RTI2018-101784-B-I00, RTI2018-101033-B-I00, and SEV-2016-0683. S.L. thanks MICINN for the predoctoral grant BES-2017-081245 corresponding to project SEV-2016-068317-2. ...[+]
Tipo: Artículo

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