A Density Functional Study of Chain Growing and Chain Terminating Steps in Olefin Polymerization by Metallocene and Constrained Geometry Catalysts

1994 ◽  
Vol 13 (6) ◽  
pp. 2252-2261 ◽  
Author(s):  
T. K. Woo ◽  
L. Fan ◽  
T. Ziegler
Keyword(s):  
Density Functional ◽  
Olefin Polymerization ◽  
Functional Study ◽  
Density Functional Study ◽  
Constrained Geometry

Density Functional Study on Activation and Ion-Pair Formation in Group IV Metallocene and Related Olefin Polymerization Catalysts

1999 ◽  
Vol 18 (22) ◽  
pp. 4624-4636 ◽  
Author(s):  
Mary S. W. Chan ◽  
Kumar Vanka ◽  
Cory C. Pye ◽  
Tom Ziegler
Keyword(s):  
Density Functional ◽  
Olefin Polymerization ◽  
Ion Pair ◽  
Pair Formation ◽  
Group Iv ◽  
Functional Study ◽  
Polymerization Catalysts ◽  
Density Functional Study ◽  
Ion Pair Formation

Zirconium−Alkyl Isomerizations in Zirconocene-Catalyzed Olefin Polymerization:  A Density Functional Study

1997 ◽  
Vol 16 (18) ◽  
pp. 3889-3894 ◽  
Author(s):  
Marc-Heinrich Prosenc ◽  
Hans-Herbert Brintzinger
Keyword(s):  
Density Functional ◽  
Olefin Polymerization ◽  
Functional Study ◽  
Density Functional Study

Density functional study of the insertion mechanism for ethylene-styrene copolymerization with constrained geometry catalysts

2003 ◽  
Vol 119 (3) ◽  
pp. 1824-1837 ◽  
Author(s):  
Sung Hoon Yang ◽  
Won Ho Jo ◽  
Seok Kyun Noh
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Constrained Geometry ◽  
Insertion Mechanism

Combined Static and Dynamic Density Functional Study of the Ti(IV) Constrained Geometry Catalyst (CpSiH2NH)TiR+. 1. Resting States and Chain Propagation

1996 ◽  
Vol 118 (51) ◽  
pp. 13021-13030 ◽  
Author(s):  
Tom K. Woo ◽  
Peter M. Margl ◽  
John C. W. Lohrenz ◽  
Peter E. Blöchl ◽  
Tom Ziegler
Keyword(s):  
Density Functional ◽  
Chain Propagation ◽  
Functional Study ◽  
Dynamic Density ◽  
Density Functional Study ◽  
Constrained Geometry ◽  
Constrained Geometry Catalyst

scholarly journals Ethylene-styrene copolymerization with constrained geometry catalysts: A density functional study

2005 ◽  
Vol 122 (7) ◽  
pp. 074901 ◽  
Author(s):  
Javier Ramos ◽  
Antonio Muñoz-Escalona ◽  
Sonia Martínez ◽  
Javier Martínez-Salazar ◽  
Victor Cruz
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Constrained Geometry

A Density Functional Study of Ethylene Insertion into the M-CH3 Bond of the Constrained Geometry Catalysts [(SiH2-C5H4-NH)MCH3]+ (M = Ti, Zr, Hf) and (SiH2-C5H4-NH)TiCH3

1995 ◽  
Vol 14 (4) ◽  
pp. 2018-2026 ◽  
Author(s):  
Liangyou Fan ◽  
Daryll Harrison ◽  
Tom K. Woo ◽  
Tom Ziegler
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Constrained Geometry

Density Functional Study of Ethylene−Norbornene Copolymerization via Metallocene and Constrained-Geometry Catalysts

2004 ◽  
Vol 23 (13) ◽  
pp. 3319-3326 ◽  
Author(s):  
Eung-Gun Kim ◽  
Michael L. Klein
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Constrained Geometry

Density Functional Study of Neutral Salicylaldiminato Nickel(II) Complexes as Olefin Polymerization Catalysts

2000 ◽  
Vol 19 (14) ◽  
pp. 2741-2750 ◽  
Author(s):  
Mary S. W. Chan ◽  
Liqun Deng ◽  
Tom Ziegler
Keyword(s):  
Density Functional ◽  
Olefin Polymerization ◽  
Functional Study ◽  
Polymerization Catalysts ◽  
Density Functional Study
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