Open AccessPrediction of pH-Dependent Hydrophobic Profiles of Small Molecules from Miertus–Scrocco–Tomasi Continuum Solvation Calculations
Author(s) -
William J. Zamora,
Carles Curutchet,
Josep M. Campanera,
F. Javier Luque
Publication year - 2017
Publication title -
the journal of physical chemistry. b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.864
H-Index - 392
eISSN - 1520-6106
pISSN - 1520-5207
DOI - 10.1021/acs.jpcb.7b08311
Subject(s) - partition coefficient , chemistry , solvation , ionic bonding , lipophilicity , molecule , computational chemistry , octanol , aqueous solution , activity coefficient , acid dissociation constant , stereochemistry , organic chemistry , ion