General computational strategy to study polymerization reactions at aluminum-based catalysts

International Journal of Quantum Chemistry

Volumn 91, Issue 3 SPEC, 2003, Pages 474-482

  Talarico, Giovanni ^a   Barone, Vincenzo ^a   Joubert, Laurent ^b   Adamo, Carlo ^b  

^a UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^b PSL RESEARCH UNIVERSITY   (France)

Author keywords

Aluminum; Catalyst; Density functional theory; Hartree Fock; Polymerization

Indexed keywords

CATALYSTS; CHARGE TRANSFER; ELECTRONIC STRUCTURE; HYDROGEN; OLEFINS; POLYMERIZATION; PROBABILITY DENSITY FUNCTION; REACTION KINETICS;

ALUMINUM BASED CATALYST; DENSITY FUNCTIONAL THEORY; HARTREE FOCK;

ALUMINUM;

EID: 0037454933     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10420     Document Type: Article

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