Relative log P and solution structure for small organic solutes in the chloroform/water system using monte carlo methods
- 1 May 1992
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 13 (4) , 468-477
- https://doi.org/10.1002/jcc.540130409
Abstract
No abstract availableKeywords
This publication has 27 references indexed in Scilit:
- 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
- Aromatic-aromatic interactions: free energy profiles for the benzene dimer in water, chloroform, and liquid benzeneJournal of the American Chemical Society, 1990
- A free energy perturbation study of solvation in methanol and dimethyl sulfoxideJournal of the American Chemical Society, 1990
- Water under high pressureMolecular Physics, 1988
- Ionic solvation in nonaqueous solvents: the structure of lithium ion and chloride in methanol, ammonia, and methylamineJournal of the American Chemical Society, 1987
- Ionization potentials and electron affinities in aqueous solutionJournal of the American Chemical Society, 1986
- Optimized intermolecular potential functions for liquid alcoholsThe Journal of Physical Chemistry, 1986
- Comparison of simple potential functions for simulating liquid waterThe Journal of Chemical Physics, 1983
- Origin of Rotational Barriers. II. Methylamine and Improved Wavefunctions for Hydrogen PeroxideThe Journal of Chemical Physics, 1967
- High-Temperature Equation of State by a Perturbation Method. I. Nonpolar GasesThe Journal of Chemical Physics, 1954