Simulation of Liquid Amides Using a Polarizable Intermolecular Potential Function
- 1 January 1996
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry
- Vol. 100 (7) , 2689-2697
- https://doi.org/10.1021/jp9521969
Abstract
No abstract availableThis publication has 84 references indexed in Scilit:
- An Anisotropic Polarizable Water Model: Incorporation of All-Atom Polarizabilities into Molecular Mechanics Force FieldsThe Journal of Physical Chemistry, 1994
- Calculation of solvation free energies using a density functional/molecular dynamics coupled potentialThe Journal of Physical Chemistry, 1993
- A molecular dynamics study of polarizable waterMolecular Physics, 1989
- A polarizable water model for calculation of hydration energiesMolecular Physics, 1988
- Calculations of electrostatic properties in proteinsJournal of Molecular Biology, 1987
- CHARMM: A program for macromolecular energy, minimization, and dynamics calculationsJournal of Computational Chemistry, 1983
- Cooperative effects in simulated waterNature, 1979
- Analytical potentials from "ab initio" computations for the interaction between biomolecules. 1. Water with amino acidsJournal of the American Chemical Society, 1977
- Thermochemistry of solutions of biochemical model compounds 7. Aqueous solutions of some amides, t-butanol and pentanolThe Journal of Chemical Thermodynamics, 1976
- Densities of aqueous mixtures of non-electrolytesThe Journal of Chemical Thermodynamics, 1971