The role of bulky substituents in Brookhart-type Ni(II) diimine catalyzed olefin polymerization: A combined density functional theory and molecular mechanics study

Journal of the American Chemical Society

Volumn 119, Issue 26, 1997, Pages 6177-6186

  Deng, Liqun ^a   Woo, Tom K ^a   Cavallo, Luigi ^b   Margl, Peter M ^a   Ziegler, Tom ^a  

^a UNIVERSITY OF CALGARY   (Canada)

^b UNIVERSITY OF NAPLES FEDERICO II   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; ETHYLENE; MATHEMATICAL MODELS; NICKEL; QUANTUM THEORY; STABILIZATION;

ARYL RINGS; CHAIN BRANCHING; CHAIN PROPAGATION; CHAIN TERMINATION; DENSITY FUNCTIONAL FUNCTION; INSERTION TRANSITION STATE; LIGAND; MOLECULAR MECHANICS; NICKEL DIIMINE CATALYZED OLEFIN POLYMERIZATION;

POLYMERIZATION;

ALKENE;

ARTICLE; CATALYSIS; COMPLEX FORMATION; HYDROGEN BOND; LIGAND BINDING; MOLECULAR DYNAMICS; NONHUMAN; POLYMERIZATION; QUANTUM MECHANICS; RNA TRANSLATION; SIGNAL TRANSDUCTION; THEORY;

EID: 0031549124     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja970226a     Document Type: Article

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