Solvation Free Energies and Adsorption Energies at the Metal/Water Interface from Hybrid Quantum-Mechanical/Molecular Mechanics Simulations
Author:
Affiliation:
1. Univ. Lyon, ENS de Lyon, CNRS UMR 5182, Université Claude Bernard Lyon 1, Laboratorie de Chimie, F-69342 Lyon, France
2. San Diego Supercomputer Center, University of California San Diego, La Jolla, California 92093, United States
Funder
Division of Chemistry
Agence Nationale de la Recherche
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00632
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