QSARs for Olefin Polymerization Catalyzed by Ti and Zr Complexes

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The book delves into constructing quantitative structure activity relationships (QSARs) for predicting reaction rates in homogeneous olefin polymerization catalysts, particularly those based on Ti and Zr with mixed cyclopentadienyl/aryloxide ligation. By integrating quantum chemistry calculations with experimental data, it aims to enhance catalyst design for improved reactivity and selectivity. The principles outlined are applicable across various catalysts, promising significant performance enhancements, making it a valuable resource for researchers in the field.