A possible 2,1→3,1 isomerization mechanism in zirconocene-catalyzed propene polymerization: An application of the density functional theory and combined ONIOM approach
Author:
Publisher
Elsevier BV
Subject
Materials Chemistry,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Biochemistry
Reference57 articles.
1. Stereospecific Olefin Polymerization with Chiral Metallocene Catalysts
2. Selectivity in Propene Polymerization with Metallocene Catalysts
3. Microstructure of polypropylene
4. Reactivity of Secondary Metal−Alkyls in Catalytic Propene Polymerization: How Dormant Are “Dormant Chains”?
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2. Detailed microstructure analysis through monomeric insertion modes of poly(propylene-co-norbornene) copolymers and poly(propylene-co-ethylene-co-norbornene) terpolymers with low norbornene contents;Polymer Testing;2023-07
3. The ONIOM Method and Its Applications;Chemical Reviews;2015-04-08
4. Mechanisms of α-, β-, and γ-H(D) Exchange Processes in the α-Agostic Alkyltitanocene(IV) Complexes [Cp2TiCH2CH(CH3)(CMe3)]+ and [Cp2TiCH2CH(CD3)(CMe3)]+: Stark Contrasts with Their γ-SiMe3 Analogues;Organometallics;2015-04-07
5. [Cp2TiCH2CHMe(SiMe3)]+, an Alkyl–Titanium Complex Which (a) Exists in Equilibrium between a β-Agostic and a Lower Energy γ-Agostic Isomer and (b) Undergoes Hydrogen Atom Exchange between α-, β-, and γ-Sites via a Combination of Conventional β-Hydrogen Elimination–Reinsertion and a Nonconventional CH Bond Activation Process Which Involves Proton Tunnelling;Journal of the American Chemical Society;2013-11-05
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