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

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DOIResolve DOI: https://doi.org/10.1021/acs.jpcb.5b01291
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  1. National Research Council of Canada. National Institute for Nanotechnology
FormatText, Article
Journal titleThe Journal of Physical Chemistry B
ISSN1520-6106
Volume119
Issue17
Pages55885597
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
Peer reviewedYes
NPARC number21275841
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Record identifier8930d8d9-ff98-4b65-903a-a5896a1b4000
Record created2015-07-14
Record modified2020-06-04
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