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

T. K. Woo; L. Fan; T. Ziegler

doi:10.1021/om00018a019

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

Organometallics ◽

10.1021/om00018a019 ◽

1994 ◽

Vol 13 (6) ◽

pp. 2252-2261 ◽

Cited By ~ 126

Author(s):

T. K. Woo ◽

L. Fan ◽

T. Ziegler

Keyword(s):

Density Functional ◽

Olefin Polymerization ◽

Functional Study ◽

Density Functional Study ◽

Constrained Geometry

Download Full-text

Density Functional Study of the Insertion Step in Olefin Polymerization by Metallocene and Constrained-Geometry Catalysts

Organometallics ◽

10.1021/om00014a012 ◽

1994 ◽

Vol 13 (2) ◽

pp. 432-433 ◽

Cited By ~ 61

Author(s):

T. K. Woo ◽

L. Fan ◽

T. Ziegler

Keyword(s):

Density Functional ◽

Olefin Polymerization ◽

Functional Study ◽

Density Functional Study ◽

Constrained Geometry

Download Full-text

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

Organometallics ◽

10.1021/om9903285 ◽

1999 ◽

Vol 18 (22) ◽

pp. 4624-4636 ◽

Cited By ~ 63

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

Download Full-text

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

Organometallics ◽

10.1021/om970227b ◽

1997 ◽

Vol 16 (18) ◽

pp. 3889-3894 ◽

Cited By ~ 38

Author(s):

Marc-Heinrich Prosenc ◽

Hans-Herbert Brintzinger

Keyword(s):

Density Functional ◽

Olefin Polymerization ◽

Functional Study ◽

Density Functional Study

Download Full-text

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

The Journal of Chemical Physics ◽

10.1063/1.1581254 ◽

2003 ◽

Vol 119 (3) ◽

pp. 1824-1837 ◽

Cited By ~ 17

Author(s):

Sung Hoon Yang ◽

Won Ho Jo ◽

Seok Kyun Noh

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Constrained Geometry ◽

Insertion Mechanism

Download Full-text

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

Journal of the American Chemical Society ◽

10.1021/ja962525q ◽

1996 ◽

Vol 118 (51) ◽

pp. 13021-13030 ◽

Cited By ~ 70

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

Download Full-text

Effect of Solvent Polarity on the Initiation and the Propagation of Ethylene Polymerization with Constrained Geometry Catalyst/MAO Catalytic System: A Density Functional Study with the Conductor-Like Screening Model

Macromolecules ◽

10.1021/ma0481961 ◽

2005 ◽

Vol 38 (4) ◽

pp. 1402-1409 ◽

Cited By ~ 16

Author(s):

Sung Hoon Yang ◽

June Huh ◽

Won Ho Jo

Keyword(s):

Catalytic System ◽

Ethylene Polymerization ◽

Density Functional ◽

Solvent Polarity ◽

Functional Study ◽

Density Functional Study ◽

Effect Of Solvent ◽

Screening Model ◽

System A ◽

Constrained Geometry

Download Full-text

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

The Journal of Chemical Physics ◽

10.1063/1.1845393 ◽

2005 ◽

Vol 122 (7) ◽

pp. 074901 ◽

Cited By ~ 13

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

Download Full-text

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

Organometallics ◽

10.1021/om00004a064 ◽

1995 ◽

Vol 14 (4) ◽

pp. 2018-2026 ◽

Cited By ~ 61

Author(s):

Liangyou Fan ◽

Daryll Harrison ◽

Tom K. Woo ◽

Tom Ziegler

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Constrained Geometry

Download Full-text

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

Organometallics ◽

10.1021/om034136s ◽

2004 ◽

Vol 23 (13) ◽

pp. 3319-3326 ◽

Cited By ~ 10

Author(s):

Eung-Gun Kim ◽

Michael L. Klein

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Constrained Geometry

Download Full-text

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

Organometallics ◽

10.1021/om000055+ ◽

2000 ◽

Vol 19 (14) ◽

pp. 2741-2750 ◽

Cited By ~ 61

Author(s):

Mary S. W. Chan ◽

Liqun Deng ◽

Tom Ziegler

Keyword(s):

Density Functional ◽

Olefin Polymerization ◽

Functional Study ◽

Polymerization Catalysts ◽

Density Functional Study

Download Full-text