First principles molecular dynamics applied to homogeneous catalysis: On ethylene insertion mechanisms and metathesis

Journal of Molecular Catalysis A: Chemical

Volumn 160, Issue 1, 2000, Pages 189-197

  Meier, Robert J ^a   Aagaard, Olav M ^a   Buda, Francesco ^b  

^a DSM RESEARCH   (Netherlands)

^b VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

Ethylene insertion; Metathesis; Molecular dynamics; Molecular modelling

Indexed keywords

ALKENE; ETHYLENE; PHOSPHINE; PHOSPHINE DERIVATIVE; PLATINUM DERIVATIVE; PLATINUM HYDRIDE; RUTHENIUM; UNCLASSIFIED DRUG;

CATALYSIS; CHEMICAL REACTION; CHEMICAL STRUCTURE; CONFERENCE PAPER; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; POLYMERIZATION; QUANTUM MECHANICS; REACTION ANALYSIS; ROTATION; STRUCTURE ANALYSIS;

EID: 0034706381     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1381-1169(00)00246-6     Document Type: Conference Paper

References (12)