Density Functional Study of Ethylene Polymerization Catalyzed by a Zirconium Non-Cyclopentadienyl Complex, L2ZrCH3+. Effects of Ligands and Bulky Substituents-Reference-Cited by-同舟云学术

Density Functional Study of Ethylene Polymerization Catalyzed by a Zirconium Non-Cyclopentadienyl Complex, L2ZrCH3+. Effects of Ligands and Bulky Substituents

Published:2000-12-09 Issue:2 Volume:20 Page:309-323
ISSN:0276-7333
Container-title:Organometallics
language:en
Short-container-title:Organometallics

Author:

Vyboishchikov Sergei F.¹,Musaev Djamaladdin G.¹,Froese Robert D. J.¹,Morokuma Keiji¹

Affiliation:

1. Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322

Publisher

American Chemical Society (ACS)

Subject

Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/om000705%2B

Reference68 articles.

1. Ziegler-Natta catalysts for olefin polymerization: Mechanistic insights from metallocene systems

2. Ab Initio Theoretical Study on Ethylene Polymerization with Homogeneous Silylene-Bridged Group 4 Metallocene Catalysts. Ethylene Insertion and .beta.-Elimination

3. A density functional study on the insertion mechanism and chain termination in Kaminsky-type catalysts; comparison of frontside and backside attack

4. Cocatalysts for Metal-Catalyzed Olefin Polymerization: Activators, Activation Processes, and Structure−Activity Relationships

5. New Pd(II)- and Ni(II)-Based Catalysts for Polymerization of Ethylene and .alpha.-Olefins

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