Identification of intermediates in zeolite-catalyzed reactions by in situ UV/Vis microspectroscopy and a complementary set of molecular simulations.

Hemelsoet, Karen; Qian, Qingyun; De Meyer, Thierry; De Wispelaere, Kristof; De Sterck, Bart; Weckhuysen, Bert M; Waroquier, Michel; Van Speybroeck, Veronique

Hemelsoet, Karen; Qian, Qingyun; De Meyer, Thierry; De Wispelaere, Kristof; De Sterck, Bart; Weckhuysen, Bert M; Waroquier, Michel; Van Speybroeck, Veronique.

Afiliação

Hemelsoet K; Center for Molecular Modeling (CMM), Ghent University, Technologiepark 903, 9052 Zwijnaarde (Belgium), QCMM-alliance, Ghent-Brussels (Belgium). karen.hemelsoet@ugent.be.

Chemistry ; 19(49): 16595-606, 2013 Dec 02.

Article em En | MEDLINE | ID: mdl-24281808

Palavras-chave

UV/Vis spectroscopy; density functional calculations; heterogeneous catalysis; molecular dynamics; zeolites

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Diagnostic_studies Idioma: En Revista: Chemistry Assunto da revista: QUIMICA Ano de publicação: 2013 Tipo de documento: Article

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