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A Density Functional Study on the Origin of the Propagation Barrier in the Homogeneous Ethylene Polymerization with Kaminsky-Type Catalysts

✍ Scribed by Lohrenz, John C. W.; Woo, Tom K.; Ziegler, Tom


Book ID
126086940
Publisher
American Chemical Society
Year
1995
Tongue
English
Weight
1017 KB
Volume
117
Category
Article
ISSN
0002-7863

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Ethylene polymerization with homogeneous
✍ Roberto Fusco; Luca Longo; Francesco Masi; Fabio Garbassi πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 420 KB πŸ‘ 1 views

## Abstract The thermodynamics of the reaction of an ethylene molecule with the Cp~2~TiCH~3~Cl/Al(CH~3~)~2~Cl system (Cp = Ξ·~5~‐C~5~H~5~), as a model for olefin polymerization with homogeneous Ziegler‐Natta catalysts, was investigated via quantum mechanical DFT calculations. The comparison of the c