Search Results - "Pakkanen, Anneli"
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Influence of the ligand structure of hafnocene polymerization catalysts: A theoretical study on chain termination reactions in ethene polymerization
Published in Journal of organometallic chemistry (15-12-2008)“…The influence of ligand structure of hafnocene catalysts on chain termination has been studied by quantum chemical methods. Three mechanisms were considered:…”
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Describing and quantifying the chemical composition distribution in unimodal and multimodal ZN-polyethylene using CRYSTAF
Published in Journal of applied polymer science (05-03-2016)“…ABSTRACT A new approach in describing and quantifying the chemical composition distribution (CCD) in Ziegler–Natta‐polyethylene copolymers was developed by…”
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3
Alkylation of titanium tetrachloride on magnesium dichloride in the presence of Lewis bases
Published in Journal of catalysis (01-09-2017)“…[Display omitted] •All relevant catalyst components are included in the periodic calculations.•TiCl4 prefers octahedral coordination on both (104) and (110)…”
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Modeling Coadsorption of Titanium Tetrachloride and Bidentate Electron Donors on Magnesium Dichloride Support Surfaces
Published in Journal of physical chemistry. C (04-12-2014)“…Coadsorption of titanium tetrachloride and two representative bidentate electron donors on magnesium dichloride surfaces is systematically studied by means of…”
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Polyethylenimines: Multidentate Electron Donors for Ziegler–Natta Catalysts
Published in Journal of physical chemistry. C (26-10-2017)“…Polyethylenimines, polymers bearing amino functionalities, are studied for the first time as internal electron donors for Ziegler–Natta catalysts. An advantage…”
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Comparative Theoretical Study on Homopolymerization of α-Olefins by Bis(cyclopentadienyl) Zirconocene and Hafnocene: Elemental Propagation and Termination Reactions between Monomers and Metals
Published in Organometallics (12-04-2010)“…A comparative quantum chemical study has been performed to shed light on the fundamental differences between hafnocenes and zirconocenes concerning reactions…”
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Elemental Reactions in Copolymerization of α-Olefins by Bis(cyclopentadienyl) Zirconocene and Hafnocene: Effects of the Metal as a Function of the Monomer and the Chain End
Published in Organometallics (28-03-2011)“…The effect of the metal on elementary chain propagation and termination reactions in hafnocene- and zirconocene-catalyzed olefin copolymerization processes has…”
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