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Novel Local Free Energy Minimum on the Cu(001) Surface

✍ Scribed by Ovsyanko, Mikhail; Stoian, Georgiana; Wormeester, Herbert; Poelsema, Bene

Book ID: 121655921
Publisher: The American Physical Society
Year: 2004
Tongue: English
Weight: 124 KB
Volume: 93
Category: Article
ISSN: 0031-9007
DOI: 10.1103/PhysRevLett.93.086103

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## Abstract The development and parameterization of a solvent potential of mean force designed to reproduce the hydration thermodynamics of small molecules and macromolecules aimed toward applications in conformation prediction and ligand binding free energy prediction is presented. The model, name