Degenerate propene metathesis on Mo-alkylidene centres of molybdena-alumina catalyst - A DFT study

Journal of Molecular Catalysis A: Chemical

Volumn 218, Issue 1, 2004, Pages 91-100

  Handzlik, Jaroslaw ^a  

^a CRACOW UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

Degenerate; DFT; Ethylidene; Gaussian; Methylidene; Molybdacyclobutane; Molybdena alumina; Propene metathesis

Indexed keywords

ALUMINA; MOLYBDENUM COMPOUNDS; PROBABILITY DENSITY FUNCTION; PROPYLENE;

CHAIN CARRIERS; METATHESIS;

CATALYSTS;

ALKENE DERIVATIVE; ALKYLIDENE; ALUMINUM OXIDE; CYCLOBUTANE DERIVATIVE; ETHYLIDENE; METHYLIDENE; MOLYBDENUM; PROPYLENE; UNCLASSIFIED DRUG;

ARTICLE; CATALYSIS; CATALYST; DENSITY FUNCTIONAL THEORY; ENERGY; MATHEMATICAL COMPUTING; NORMAL DISTRIBUTION; SUBSTITUTION REACTION;

EID: 2942627586     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcata.2004.04.005     Document Type: Article

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