Calculation of the dispersion energy contribution to the solvation free energy
- 1 October 1994
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 229 (3) , 244-249
- https://doi.org/10.1016/0009-2614(94)01044-7
Abstract
No abstract availableKeywords
This publication has 25 references indexed in Scilit:
- Solute-solvent interactionsJournal of Molecular Structure: THEOCHEM, 1993
- Evaluation of dispersion—repulsion contributions to the solvation energy. Calibration of the uniform approximation with the aid of RISM calculationsChemical Physics, 1993
- A local dielectric constant model for solvation free energies which accounts for solute polarizabilityThe Journal of Physical Chemistry, 1992
- A computation procedure for the dispersion component of the interaction energy in continuum solute-solvent modelsChemical Physics, 1989
- Evaluation of the dispersion contribution to the solvation energy. A simple computational model in the continuum approximationJournal of Computational Chemistry, 1989
- Theoretical calculation of vibrational polarizabilities. An application to the study of conformational and solvent effectsChemical Physics Letters, 1986
- Optimized intermolecular potential functions for liquid hydrocarbonsJournal of the American Chemical Society, 1984
- The direct reaction field hamiltonian: Analysis of the dispersion term and application to the water dimerChemical Physics, 1982
- Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effectsChemical Physics, 1981
- Continuum-Model Treatment of Long-Range Intermolecular Forces. I. Pure SubstancesThe Journal of Chemical Physics, 1960