Theoretical study on the alteration of fundamental zeolite properties by methylene functionalization

Microporous and Mesoporous Materials

Volumn 96, Issue 1-3, 2006, Pages 350-356

  Lesthaeghe, David ^a   Delcour, Gaella ^a   Van Speybroeck, Veronique ^a   Marin, Guy B ^a   Waroquier, Michel ^a  

^a GHENT UNIVERSITY   (Belgium)

Author keywords

Density functional theory; ONIOM method; Organic functionalized zeolites; Organosilicas

Indexed keywords

ADSORPTION; ION EXCHANGE; MATHEMATICAL MODELS; MICROPOROUS MATERIALS; OLEFINS; PROBABILITY DENSITY FUNCTION;

ONIOM METHOD; ORGANIC FUNCTIONALIZED ZEOLITES; ORGANOSILICAS;

ZEOLITES;

ADSORPTION; ION EXCHANGE; MATHEMATICAL MODELS; MICROPOROUS MATERIALS; OLEFINS; PROBABILITY DENSITY FUNCTION; ZEOLITES;

EID: 33750368500     PISSN: 13871811     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.micromeso.2006.07.020     Document Type: Article

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