Capturing Dichotomic Solvent Behavior in Solute–Solvent Reactions with Neural Network Potentials

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Authors: Frédéric Célerse, Veronika Juraskova, Shubhajit Das, Matthew D. Wodrich, Clemence Corminboeuf

Journal title: Journal of Chemical Theory and Computation

Journal number: 20

Journal publisher: American Chemical Society

Published year: 2024

Published pages: 10350-10361

DOI identifier: 10.1021/acs.jctc.4c01201

ISSN: 1549-9618