Theory-Based Mechanistic Insight as Stepping Stone for Catalyst Development in Olefin Polymerization
Doctoral thesis
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Date
2011-09-29Metadata
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- Department of Chemistry [246]
Has parts
Paper I: On the Nature of the Active Site in Ruthenium Olefin Coordination-Insertion Polymerization Catalysts. W. Heyndrickx, G. Occhipinti, Y. Minenkov and V. R. Jensen J. Mol. Catal. A: Chem. 2010, 324, 64-74. Full-text not available.Paper II: Neutral Nickel Oligo- and Polymerization Catalysts: The Importance of Alkyl Phosphine Intermediates in Chain Termination. W. Heyndrickx, G. Occhipinti, Y. Minenkov and V. R. Jensen Chem.-Eur. J. 2011. Accepted. Full-text not available.
Paper III: Neutral Nickel Oligo- and Polymerization Catalysts: Towards Computational Catalyst Prediction and Design. W. Heyndrickx, G. Occhipinti and V. R. Jensen. To be submitted. Full-text not available.
Paper IV: Striking a Compromise: Polar Functional Group Tolerance Versus Insertion Barrier Height for Olefin Polymerization Catalysts. W. Heyndrickx, G. Occhipinti, P. Bultinck and V. R. Jensen To be submitted. Full-text not available.
Paper V: De Novo Optimization of Functional Coordination Compounds using a Fragment-Based Evolutionary Algorithm. Y. Chu, W. Heyndrickx, G. Occhipinti, V. R. Jensen and B. K. Alsberg To be submitted. Full-text not available.