The interplay of electrostatic and covalent effects in 1-butene oxidation over vanadyl pyrophosphate

Journal of Molecular Catalysis A: Chemical

Volumn 206, Issue 1-2, 2003, Pages 435-439

  Thompson, D J ^a   Fanning, M O ^a   Hodnett, B K ^a  

^a UNIVERSITY OF LIMERICK   (Ireland)

Author keywords

Cluster models; Fukui functions; Local softness matching; Olefin adsorption; Quantum chemical calculations; Selective oxidation; Vanadyl pyrophosphate

Indexed keywords

CHEMICAL BONDS; ELECTROSTATICS; OXIDATION; QUANTUM THEORY; STOICHIOMETRY;

COULOMBIC REPULSION;

CATALYSTS;

1 BUTENE; ALKENE; BUTANE; CARBON; CATION; MALEIC ANHYDRIDE; OXYGEN; PHOSPHORUS; UNCLASSIFIED DRUG; VANADIUM; VANADYL DERIVATIVE; VANADYL PYROPHOSPHATE;

ADSORPTION; ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL INTERACTION; COMPARATIVE STUDY; COMPLEX FORMATION; CONCENTRATION (PARAMETERS); COVALENT BOND; ELECTRICITY; EXPERIMENT; HYDROGEN BOND; OXIDATION; QUANTUM MECHANICS; REACTION ANALYSIS; STOICHIOMETRY; SURFACE PROPERTY;

EID: 0141563314     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1381-1169(03)00459-X     Document Type: Article

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