Automating the Optimization of Catalytic Reaction Mechanism Parameters Using Basin-Hopping: A Proof of Concept

Rinu Chacko, Kevin Keller, Steffen Tischer, Akash B. Shirsath, Patrick Lott, Sofia Angeli, Olaf Deutschmann

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Source: Crossref

Published: Apr 18, 2023

DOI: 10.1021/acs.jpcc.2c08179

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