The role of dispersive forces determining the energetics of adsorption in Ti zeolites.

Signorile, Matteo; Damin, Alessandro; Bonino, Francesca; Crocellà, Valentina; Lamberti, Carlo; Bordiga, Silvia

Signorile, Matteo; Damin, Alessandro; Bonino, Francesca; Crocellà, Valentina; Lamberti, Carlo; Bordiga, Silvia.

Afiliação

Signorile M; Department of Chemistry, NIS, and INSTM Reference Centre, Università di Torino, Via G. Quarello 15, I-10135 and Via P. Giuria 7, Torino, I-10125, Italy.
Damin A; Department of Chemistry, NIS, and INSTM Reference Centre, Università di Torino, Via G. Quarello 15, I-10135 and Via P. Giuria 7, Torino, I-10125, Italy. alessandro.damin@unito.it.
Bonino F; Department of Chemistry, NIS, and INSTM Reference Centre, Università di Torino, Via G. Quarello 15, I-10135 and Via P. Giuria 7, Torino, I-10125, Italy.
Crocellà V; Department of Chemistry, NIS, and INSTM Reference Centre, Università di Torino, Via G. Quarello 15, I-10135 and Via P. Giuria 7, Torino, I-10125, Italy.
Lamberti C; Department of Chemistry, NIS, and INSTM Reference Centre, Università di Torino, Via G. Quarello 15, I-10135 and Via P. Giuria 7, Torino, I-10125, Italy.
Bordiga S; International Research Center (IRC) "Smart Materials", Southern Federal University, Zorge street 5, Rostov-on-Don, 344090, Russia.

J Comput Chem ; 37(30): 2659-2666, 2016 11 15.

Article em En | MEDLINE | ID: mdl-27690268

Palavras-chave

DFT; Ti-silicate; adsorption; dispersive-interaction; zeolite

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Comput Chem Assunto da revista: QUIMICA Ano de publicação: 2016 Tipo de documento: Article País de afiliação: Itália

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