Octanol-water partition coefficient from 3D-RISM-KH molecular theory of solvation with partial molar volume correction

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DOIResolve DOI: http://doi.org/10.1021/acs.jpcb.5b01291
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TypeArticle
Journal titleThe Journal of Physical Chemistry B
ISSN1520-6106
Volume119
Issue17
Pages55885597; # of pages: 10
SubjectChemical compounds; Functional groups; Molecular dynamics; Solvation; Solvents; Volume measurement; Chemical characteristic; Explicit solvent molecular dynamics; Hydration free energies; Hydrophobic/hydrophilic; Molecular theory of solvation; Octanol-water partition coefficient; Partition coefficient; Solvation free energies; Free energy
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PublisherACS Publications
LanguageEnglish
AffiliationNational Research Council Canada (NRC-CNRC); National Institute for Nanotechnology
Peer reviewedYes
NPARC number21275841
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Record identifier8930d8d9-ff98-4b65-903a-a5896a1b4000
Record created2015-07-14
Record modified2017-03-23
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