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Article Dans Une Revue Journal of Chemical Information and Modeling Année : 2023

HiREX: High-Throughput Reactivity Exploration for Extended Databases of Transition-Metal Catalysts

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hal-04233008 , version 1 (09-10-2023)

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Ali Hashemi, Sana Bougueroua, Marie-Pierre Gaigeot, Evgeny Pidko. HiREX: High-Throughput Reactivity Exploration for Extended Databases of Transition-Metal Catalysts. Journal of Chemical Information and Modeling, 2023, ⟨10.1021/acs.jcim.3c00660⟩. ⟨hal-04233008⟩
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