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Selectivity of Metallocene-Catalyzed Olefin Polymerization: A Combined Experimental and Quantum Mechanical Study. 1. Nonchiral Bis(cyclopentadienyl) Systems

โœ Scribed by Borrelli, Manuela; Busico, Vincenzo; Cipullo, Roberta; Ronca, Sara; Budzelaar, Peter H. M.


Book ID
120019056
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
132 KB
Volume
35
Category
Article
ISSN
0024-9297

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Ethylene polymerization catalyzed by met
โœ Roberto Fusco; Luca Longo; Antonio Proto; Francesco Masi; Fabio Garbassi ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 480 KB ๐Ÿ‘ 2 views

DFT (density-functional theory) calculations were performed to investigate the thermodynamics of formation of Olefin Separated Ion Pairs (OSIP) Cp2MtCH~/C2H4/Cl2AI[O(A1Me3)AlHMe]; (Cp = q5-C5H5, Mt = Ti, Zr, Me = CH3) from ethylene and Cp2MtMe \* C12AI[O(AlMe3)A1HMe]2, a model of adduct produced by