1-Octanol/Water Partition Coefficients of n-Alkanes from Molecular Simulations of Absolute Solvation Free Energies-Reference-Cited by-同舟云学术

1-Octanol/Water Partition Coefficients of n-Alkanes from Molecular Simulations of Absolute Solvation Free Energies

Published:2009-08-17 Issue:9 Volume:5 Page:2436-2446
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Garrido Nuno M.¹,Queimada António J.¹,Jorge Miguel¹,Macedo Eugénia A.¹,Economou Ioannis G.¹

Affiliation:

1. Laboratory of Separation and Reaction Engineering (LSRE), Departamento de Engenharia Química, Faculdade de Engenharia, Universidade do Porto, Rua do Dr. Roberto Frias, 4200-465 Porto, Portugal and Molecular Thermodynamics and Modeling of Materials Laboratory, Institute of Physical Chemistry, National Center for Scientific Research “Demokritos”, GR-153 10, Aghia Paraskevi Attikis, Greece

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct900214y

Reference88 articles.

1. Partition coefficients and their uses

2. Pharmacokinetics of the time-dependent elimination of all-trans-retinoic acid in rats

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