Quantum chemical study of the activator contribution to stereoinduction at the step of alkene insertion into the catalytically active centers Cp2ZrMe(Cl)–methylalumoxane

Catalytic Properties of Zirconocene-Based Systems in 1-Hexene Oligomerization and Structure of Metal Hydride Reaction Centers

(2023) Lyudmila V. Parfenova et al.   MOLECULES

Reactivity Trends of Lewis Acidic Sites in Methylaluminoxane and Some of Its Modifications

(2020) Francesco Zaccaria et al.   INORGANIC CHEMISTRY

Breaking Symmetry Rules Enhance the Options for Stereoselective Propene Polymerization Catalysis

(2020) Claudio De Rosa et al.   MACROMOLECULES

Fair Look at Coordination Oligomerization of Higher α-Olefins

(2020) Ilya Nifant’ev et al.   Polymers

The mechanism of the reaction between MAO and TMA: DFT study of the electronic structure and characterization of transition states for [AlOMe]6, [AlOMe]9 and [AlOMe]16 cages

(2020) Vinícius Esteves Teixeira et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Role of the Counteranion in the Reaction Mechanism of Propylene Polymerization Catalyzed by a (Pyridylamido)hafnium(IV) Complex

(2018) K. Matsumoto et al.   ORGANOMETALLICS

Non-traditional Ziegler-Natta catalysis in α-olefin transformations: reaction mechanisms and product design

(2017) Ilya Nifant’ev et al.   PURE AND APPLIED CHEMISTRY

Mechanistic aspects of chemo- and regioselectivity in Cp2ZrCl2-catalyzed alkene cycloalumination by AlEt3

(2016) Tatyana V. Tyumkina et al.   JOURNAL OF ORGANOMETALLIC CHEMISTRY

Performance of Density Functionals for Activation Energies of Zr-Mediated Reactions

(2013) Yuanyuan Sun et al.   Journal of Chemical Theory and Computation

Poly-α-olefin-based synthetic lubricants: a short review on various synthetic routes

(2011) Saptarshi Ray et al.   Lubrication Science

DFT and Ab Initio Study on Mechanism of Olefin Hydroalumination by XAlBui2in the Presence of Cp2ZrCl2Catalyst. II.(1) Olefin Interaction with Catalytically Active Centers

(2011) Evgeniy Yu. Pankratyev et al.   ORGANOMETALLICS