Density functional study for estimating Brønsted acid site strength in isomorphously substituted ZSM-5

Microporous and Mesoporous Materials

Volumn 21, Issue 4-6, 1998, Pages 421-428

  Chatterjee, A ^a   Iwasaki, T ^a   Ebina, T ^a   Miyamoto, A ^b  

^a TOHOKU NATL INDUST RES INSTITUTE   (Japan)

^b TOHOKU UNIVERSITY   (Japan)

Author keywords

Br nsted acid strength; Isomorphous substitution; Local density functional; MESP map; ZSM 5

Indexed keywords

ACIDITY; CARRIER CONCENTRATION; COMPUTATIONAL METHODS; ELECTRIC POTENTIAL; ELECTROSTATICS; MATHEMATICAL MODELS; SUBSTITUTION REACTIONS;

BRONSTED ACIDS; DENSITY FUNCTIONAL THEORY (DFT);

ZEOLITES;

EID: 0032068864     PISSN: 13871811     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1387-1811(98)00051-1     Document Type: Article

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