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Improving the description of solvent pairwise interactions using local solute/solvent three-body functions. The case of halides and carboxylates in aqueous environment.
Florent Réal
Valérie Vallet
Michel Masella
Published in:
J. Comput. Chem. (2019)
Keyphrases
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pairwise interactions
pairwise
real time
upper bound
level set