Automated de Novo Design of Olefin Metathesis Catalysts: Computational and Experimental Analysis of a Simple Thermodynamic Design Criterion

Marco Foscato, Giovanni Occhipinti, Sondre H. Eliasson, Vidar R. Jensen. Automated de Novo Design of Olefin Metathesis Catalysts: Computational and Experimental Analysis of a Simple Thermodynamic Design Criterion. Journal of Chemical Information and Computer Sciences, 64(2):412-424, 2024. [doi]

Abstract

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