Molecular modeling of ruthenium alkylidene mediated olefin metathesis reactions. DFT study of reaction pathways

Organometallics

Volumn 22, Issue 1, 2003, Pages 93-99

  Fomine, Serguei ^a   Martinez Vargas, Sergio ^a   Tlenkopatchev, Mikhail A ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATIVE SUBSTITUTION; ENTROPY CONTRIBUTION; MOLECULAR MODELING; OLEFIN METATHESIS REACTIONS; PHOSPHINE LIGAND; REACTION PATHWAYS; RUTHENIUM ALKYLIDENE;

COMPLEXATION; DISSOCIATION; ENTROPY; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; PROPYLENE; QUANTUM THEORY; SUBSTITUTION REACTIONS;

RUTHENIUM COMPOUNDS;

EID: 0037421454     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om020581w     Document Type: Article

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