Ab initio simulations of Lewis-acid-catalyzed hydrosilylation of alkynes

ChemPhysChem

Volumn 6, Issue 9, 2005, Pages 1772-1775

  Zipoli, Federino ^a   Bernasconi, Marco ^a   Laio, Alessandro ^b  

^a UNIVERSITY OF MILANO BICOCCA   (Italy)

^b ETH ZURICH   (Switzerland)

Author keywords

Ab initio calculations; Catalysis; Hydrosilylation; Molecular dynamics; Reaction mechanisms

Indexed keywords

ALUMINUM CHLORIDE; CATALYSIS; HYDROCARBONS; HYDROSILYLATION; MOLECULAR DYNAMICS; REACTION KINETICS;

AB INITIO CALCULATIONS; AB INITIO SIMULATIONS; CAR-PARRINELLO SIMULATION; COMPLEX CHEMICAL REACTIONS; LEWIS ACID; METADYNAMICS; REACTION MECHANISM;

CALCULATIONS;

EID: 24944482604     PISSN: 14394235     EISSN: None     Source Type: Journal    
DOI: 10.1002/cphc.200400523     Document Type: Article

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