Counteranion effects on the zirconocene polymerization catalyst olefin complex from QM/MM molecular dynamics simulations

Organometallics

Volumn 30, Issue 8, 2011, Pages 2071-2074

  Rowley, Christopher N ^a,b   Woo, Tom K ^a  

^a UNIVERSITY OF OTTAWA   (Canada)

^b UNIVERSITY OF CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE CATALYST; AGOSTIC STRUCTURES; DIPOLE INTERACTION; ION PAIRS; MOLECULAR DYNAMICS SIMULATIONS; OLEFIN COMPLEXES; POLYMERIZATION CATALYSTS; ZIRCONOCENE CATALYST; ZIRCONOCENES;

CATALYSTS; OLEFINS; ZIRCONIUM; ZIRCONIUM COMPOUNDS;

MOLECULAR DYNAMICS;

EID: 79954461346     PISSN: 02767333     EISSN: 15206041     Source Type: Journal    
DOI: 10.1021/om101188t     Document Type: Article

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