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Derniers dépôts
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Timothée Devergne, Théo Magrino, Fabio Pietrucci, A. Marco Saitta. Combining Machine Learning Approaches and Accurate Ab Initio Enhanced Sampling Methods for Prebiotic Chemical Reactions in Solution. Journal of Chemical Theory and Computation, 2022, 18 (9), pp.5410-5421. ⟨10.1021/acs.jctc.2c00400⟩. ⟨hal-03927894⟩