A Density Functional Study on the Origin of the Propagation Barrier in the Homogeneous Ethylene Polymerization with Kaminsky-Type Catalysts

1995 ◽  
Vol 117 (51) ◽  
pp. 12793-12800 ◽  
Author(s):  
John C. W. Lohrenz ◽  
Tom K. Woo ◽  
Tom Ziegler
Keyword(s):  
Ethylene Polymerization ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study

Density functional study of ethylene polymerization on zirconocene catalysts

2000 ◽  
Vol 49 (10) ◽  
pp. 1735-1741 ◽  
Author(s):  
I. E. Nifant'ev ◽  
L. Yu. Ustynyuk ◽  
D. N. Laikov
Keyword(s):  
Ethylene Polymerization ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study

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

2001 ◽  
Vol 20 (2) ◽  
pp. 309-323 ◽  
Author(s):  
Sergei F. Vyboishchikov ◽  
Djamaladdin G. Musaev ◽  
Robert D. J. Froese ◽  
Keiji Morokuma
Keyword(s):  
Ethylene Polymerization ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study

Density Functional Study of the Mechanism of the Palladium(II)-Catalyzed Ethylene Polymerization Reaction

1997 ◽  
Vol 16 (9) ◽  
pp. 1933-1945 ◽  
Author(s):  
Djamaladdin G. Musaev ◽  
Mats Svensson ◽  
Keiji Morokuma ◽  
Staffan Strömberg ◽  
Krister Zetterberg ◽  
...  
Keyword(s):  
Ethylene Polymerization ◽  
Density Functional ◽  
Polymerization Reaction ◽  
Functional Study ◽  
Density Functional Study
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