+++JACS (4)

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1) J. Am. Chem. Soc., 2000, 122 (32), pp 7750–7767
Jean-François Carpentier, Zhe Wu, Chul Woo Lee, Staffan Strömberg, Joseph N. Christopher, and Richard F. Jordan*
"d0 Metal Olefin Complexes. Synthesis, Structures, and Dynamic Properties of (C5R5)2Zr(OCMe2CH2CH2CHCH2)+ Complexes: Models for the Elusive (C5R5)2Zr(R)(Olefin)+ Intermediates in Metallocene-Based Olefin Polymerization Catalysis"

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http://dx.doi.org/10.1021/ja000989p

2) J. Am. Chem. Soc., 1997, 119 (2), pp 367–374
Djamaladdin G. Musaev, Robert D. J. Froese, Mats Svensson, and Keiji Morokuma*
"A Density Functional Study of the Mechanism of the Diimine−Nickel-Catalyzed Ethylene Polymerization Reaction"

Код: Выделить всё

http://dx.doi.org/10.1021/ja9628314

3) Organometallics, 2005, 24 (22), pp 5407–5423
Paul J. Chirik† and John E. Bercaw*
"Cyclopentadienyl and Olefin Substituent Effects on Insertion and β-Hydrogen Elimination with Group 4 Metallocenes. Kinetics, Mechanism, and Thermodynamics for Zirconocene and Hafnocene Alkyl Hydride Derivatives"

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http://dx.doi.org/10.1021/om0580351

4) Organometallics, 2006, 25 (4), pp 887–900
Sheng-Yong Yang and Tom Ziegler*
"Combined Car−Parrinello QM/MM Dynamic Study on the Propagation and Termination Steps of Ethylene Polymerization Catalyzed by [Cp2ZrR(μ-Me)B(C6F5)3] (R = Me, Pr)"

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http://dx.doi.org/10.1021/om050840s

Заранее благодарю.

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