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To shed light on the reaction mechanism of nickel-alkali catalysts for ethylene polymerization using the computational chemistry technique. The calculation results were compared to experimental observation. The multiple roles of secondary metals were elucidated. The finding paves the way for the design and development of the catalysts for polymerization.

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This page is a summary of: Exploring the Reaction Mechanism of Heterobimetallic Nickel‐Alkali Catalysts for Ethylene Polymerization: Secondary‐Metal‐Ligand Cooperative Catalysis, ChemCatChem, May 2022, Wiley, DOI: 10.1002/cctc.202200028.
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