• Understanding Ziegler-Natta Catalysis Through Your Laptop

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      Permanent link:
      https://www.ias.ac.in/article/fulltext/reso/022/11/1025-1037

    • Keywords

       

      Ziegler–Natta catalysts, donor, titanium center, computational tools, infinite surface, cluster model, coordination, density functional theory.

    • Abstract

       

      This article focuses on the different components that makeup Ziegler–Natta olefin polymerization systems and showshow investigating the interactions between these componentsthrough computational approaches provide crucial informationabout the chemistry of these systems. Hence, the necessityof theory acting as a counterpoint to experiment is revealed,underlining the importance of computational chemistryin attacking important problems of the day.

    • Author Affiliations

       

      K Vipin Raj1 Kumar Vanka1

      1. CSIR-National Chemical Laboratory, Pashan, Pune 411 008, India.
    • Dates

       

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