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Z. Flisak, K. Szczegot

Complexes of transition metals with Lewis bases as precursors of olefin polymerization catalysts.

Part II. Advance in computer-assisted design of catalysts

Polimery 2001, No 6, 390



Summary

A review with 14 references covering CAD of olefin polymerization catalysts in terms of the catalytic effects affecting the process course. Achievements are described in the theoretical prediction of catalytic properties of transition metal complexes, which stems from the understanding of polymerization mechanisms, catalytic site nature, catalyst activity, and tasks performed by individual catalyst constituents. Topics are delineated which are expected to be studied in future theoretical works covering the area of coordination polymerization (roles of cocatalyst(s), Lewis base(s), experimental conditions, etc.).
Keywords: Ziegler-Natta catalysts, polymerization of ethylene and propylene, molecular modeling, density functional theory, metallocenes
Z. Flisak, K. Szczegot (172.2 KB)
Complexes of transition metals with Lewis bases as precursors of olefin polymerization catalysts. Part II. Advance in computer-assisted design of catalysts