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Free Energies of Solvation in Cyclohexane and Water: United-Atom vs All-Atom.

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Title: Free Energies of Solvation in Cyclohexane and Water: United-Atom vs All-Atom.
Authors: Jorgensen WL; Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, United States., Tirado-Rives J; Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, United States.
Source: Journal of chemical theory and computation [J Chem Theory Comput] 2026 Jul 23. Date of Electronic Publication: 2026 Jul 23.
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: <searchLink fieldCode="AU" term="%22Jorgensen+WL%22">Jorgensen WL</searchLink>; Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, United States.<br /><searchLink fieldCode="AU" term="%22Tirado-Rives+J%22">Tirado-Rives J</searchLink>; Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, United States.
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        Value: 10.1021/acs.jctc.6c00989
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        Text: English
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      – TitleFull: Free Energies of Solvation in Cyclohexane and Water: United-Atom vs All-Atom.
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              Text: 2026 Jul 23
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