A Combined Density Functional Theory and Molecular Mechanics (QM/MM) Study of Single-Site Ethylene Polymerization Catalyzed by [(C6H5NCH)C4H3N]2-RM+ {M = Ti, Zr} in the Presence of the Counterion CH3B(C6F5)3-

• K. Vanka ^[1] ; Zhitao Xu ^[1] ; Tom Ziegler ^[1]
  1. [1] University of Calgary

     University of Calgary

     Canadá

     
• Localización: Organometallics, ISSN 0276-7333, Vol. 23, Nº. 12, 2004, págs. 2900-2910
• Idioma: inglés
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