Cluster and periodic ab initio study of the ethane-ethene hydride transfer reaction catalyzed by acid chabazite. Is the cluster model able to describe accurately the host-guest interactions?

Physical Chemistry Chemical Physics

Volumn 1, Issue 4, 1999, Pages 537-543

  Boronat, M ^a   Zicovich Wilson, C M ^a   Corma, A ^a   Viruela, P ^b  

^a UNIVERSITAT POLITÈCNICA DE VALÈNCIA   (Spain)

^b UNIVERSITY OF VALENCIA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CHABAZITE; ETHANE; ETHYLENE; UNCLASSIFIED DRUG; ZEOLITE;

ARTICLE; CATALYSIS; CATALYST; CHEMICAL REACTION; GEOMETRY; MATHEMATICAL ANALYSIS; MATHEMATICAL MODEL; MOLECULAR DYNAMICS; MOLECULAR MODEL; QUANTUM MECHANICS;

EID: 0033558208     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/a808037b     Document Type: Article

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