Computational approaches to activity in rhodium-catalysed hydroformylation

Chemistry - A European Journal

Volumn 10, Issue 10, 2004, Pages 2435-2444

  Gleich, Dieter ^a   Hutter, Jürg ^a  

^a UNIVERSITY OF ZURICH   (Switzerland)

Author keywords

Density functional calculations; Hydroformylation; Mechanisms; Molecular dynamics; Reaction; Rhodium

Indexed keywords

CATALYSIS; COMPUTATIONAL METHODS; HYDROGEN; PRESSURE EFFECTS; SUBSTRATES;

HYDROFORMYLATION; PREEQUILIBRIA;

RHODIUM;

CARBONYL DERIVATIVE; PHOSPHORUS DERIVATIVE; RHODIUM DERIVATIVE;

ACCURACY; ARTICLE; CATALYSIS; CATALYST; CHEMICAL MODIFICATION; DISSOCIATION; EXPERIMENTAL TEST; HYDROFORMYLATION; LIGAND BINDING; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MECHANICS; MOLECULAR MODEL; PARAMETER; QUANTUM MECHANICS; REACTION ANALYSIS; SYSTEM ANALYSIS; TECHNIQUE;

EID: 2942604963     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/chem.200305179     Document Type: Article

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