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

From National Research Council Canada

  1. (PDF, 1.1 MiB)
DOIResolve DOI: https://doi.org/10.1021/acs.jpcb.5b01291
AuthorSearch for: 1; Search for: 1; Search for: 1
  1. National Research Council of Canada. National Institute for Nanotechnology
FormatText, Article
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
Publication date
Peer reviewedYes
NPARC number21275841
Export citationExport as RIS
Report a correctionReport a correction (opens in a new tab)
Record identifier8930d8d9-ff98-4b65-903a-a5896a1b4000
Record created2015-07-14
Record modified2020-06-04
Date modified: