Ab initio calculation of ethylene insertion in zirconocene catalyst systems: A comparative study between bridged and unbridged complexes

Polymer

Volumn 37, Issue 9, 1996, Pages 1663-1667

  Cruz, V L ^a   Munoz Escalona A ^b   Martinez Salazar, J ^c  

^a CSIC Centro Tecnico de Informatica CTI   (Spain)

^b REPSOL YPF   (Spain)

^c INSTITUTO DE ESTRUCTURA DE LA MATERIA   (Spain)

Author keywords

Ethylene; Organometallic complexes; Zirconocene catalysts

Indexed keywords

ACTIVATION ENERGY; CRYSTALLOGRAPHY; ETHYLENE; GEOMETRY; MOLECULES; MONOMERS; NUMERICAL METHODS; ORGANOMETALLICS; POLYMERIZATION;

ALPHA AGOSTIC INTERACTION; BRIDGED COMPLEXES; BROOKHART-GREEN MECHANISM; ETHYLENE INSERTION; HARTREE-FOCK LEVEL; UNBRIDGED COMPLEXES; ZIRCONOCENE CATALYSTS SYSTEMS;

CATALYSTS;

EID: 0030129057     PISSN: 00323861     EISSN: None     Source Type: Journal    
DOI: 10.1016/0032-3861(96)83716-5     Document Type: Article

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