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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 RéalValérie ValletMichel Masella
Published in: J. Comput. Chem. (2019)
Keyphrases
  • pairwise interactions
  • pairwise
  • real time
  • upper bound
  • level set