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A Density Functional Study of the Insertion Mechanism in MAO (Methylaluminoxane)-Activated, Cp 2 ZrMe 2 -Catalyzed Olefi

A Density Functional Study of the Insertion Mechanism in MAO (Methylaluminoxane)-Activated, Cp 2 ZrMe 2 -Catalyzed Olefin Polymerization. Eva Zurek, Tom Ziegler*, University of Calgary. Computational Details. DFT Calculations: performed with ADF 2.3.3 and 2000.

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A Density Functional Study of the Insertion Mechanism in MAO (Methylaluminoxane)-Activated, Cp 2 ZrMe 2 -Catalyzed Olefi