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Zeitschrift fur Anorganische und Allgemeine Chemie

Volumn 628, Issue 6, 2002, Pages 1385-1396

An extension of the Consistent Valence Force Field (CVFF) with the aim to simulate the structures of vanadium phosphorus oxides and the adsorption of n-butane and of 1-butene on their crystal planes

(6) Ritschl, Friedrich a Fait, Martin a Fiedler, Klaus a Khler, Jutta E H a Kubias, Bernd a Meisel, Manfred a

a HUMBOLDT UNIVERSITY (Germany)

Author keywords

Adsorption; Catalysts; Density functional calculations; Force field; Hydrocarbons; Molecular modeling; Pyrophosphate; Vanadium

Indexed keywords

BUTANE; ORGANIC COMPOUND; PHOSPHORUS PENTOXIDE; VANADIUM DERIVATIVE;

ADSORPTION; ARTICLE; ATOM; CATALYST; CHEMICAL BOND; CORRELATION ANALYSIS; CRYSTAL STRUCTURE; ENERGY; MOLECULAR INTERACTION; OXIDATION; SIMULATION; STRUCTURE ANALYSIS;

EID: 0036304021 PISSN: 00442313 EISSN: None Source Type: Journal
DOI: 10.1002/1521-3749(200206)628:6<1385::AID-ZAAC1385>3.0.CO;2-1 Document Type: Article

Times cited : (26)

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