Theoretical and Experimental Studies on Partitions of γ-Substituted Butyric Acids in Chloroform/Water and Dichloromethane/Water Systems
- 24 May 2001
- journal article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry B
- Vol. 105 (24) , 5772-5781
- https://doi.org/10.1021/jp0100203
Abstract
No abstract availableKeywords
This publication has 33 references indexed in Scilit:
- Theoretical Investigation of the Neutral/Zwitterionic Equilibrium of γ-Aminobutyric Acid (GABA) Conformers in Aqueous SolutionThe Journal of Physical Chemistry A, 2000
- Theoretical Studies on the Conformational Equilibria of the γ-Hydroxybutyric Acid in the Gas Phase and in SolutionThe Journal of Physical Chemistry A, 1997
- Interlaboratory study of log {ce:inline-formula}P{/ce:inline-formula} determination by shake-flask and potentiometric methodsJournal of Pharmaceutical and Biomedical Analysis, 1996
- Reduced surface: An efficient way to compute molecular surfacesBiopolymers, 1996
- Comparison of 6-31G*-based MST/SCRF and FEP evaluations of the free energies of hydration for small neutral moleculesJournal of Computational Chemistry, 1993
- Accuracy of free energies of hydration for organic molecules from 6‐31g*‐derived partial chargesJournal of Computational Chemistry, 1993
- Relative log P and solution structure for small organic solutes in the chloroform/water system using monte carlo methodsJournal of Computational Chemistry, 1992
- A computer-assisted method for estimation of the partition coefficient. Monte Carlo simulations of the chloroform/water log P for methylamine, methanol, and acetonitrileJournal of the American Chemical Society, 1991
- Comparison of simple potential functions for simulating liquid waterThe Journal of Chemical Physics, 1983
- Electric Moments of Molecules in LiquidsJournal of the American Chemical Society, 1936