Combined Density Functional Theory and Molecular Mechanics (QM/MM) Study of Single-Site Ethylene Polymerization and Chain Termination for the Catalysts [(C 6 R 5 NCH)C 4 H 3 N] 2 PrTi + (R = F, H) and [bis(η 5 -1-indenyl)dimethylsilane]PrZr + in the Presence of the Counterion CH 3 B(C 6 F 5 ) 3-

✍ Scribed by Vanka, Kumar; Xu, Zhitao; Ziegler, Tom

• Book ID: 126047603
• Publisher: American Chemical Society
• Year: 2005
• Tongue: English
• Weight: 271 KB
• Volume: 24
• Category: Article
• ISSN: 0276-7333
• DOI: 10.1021/om0492808