Success and pitfalls of the dielectric continuum model in quantum chemical calculations
- 13 March 1993
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 48 (S27), 451-466
- https://doi.org/10.1002/qua.560480844
Abstract
No abstract availableKeywords
This publication has 31 references indexed in Scilit:
- Quantum chemistry in the condensed phase: an extended direct reaction field approachJournal of Molecular Structure: THEOCHEM, 1992
- The electric potential of a macromolecule in a solvent: A fundamental approachJournal of Computational Physics, 1991
- General parameterized SCF model for free energies of solvation in aqueous solutionJournal of the American Chemical Society, 1991
- Solvent effects. 1. The mediation of electrostatic effects by solventsJournal of the American Chemical Society, 1991
- Reaction field effects on the electronic structure of carbon radical and ionic centersInternational Journal of Quantum Chemistry, 1990
- A multiconfigurational self-consistent reaction-field methodThe Journal of Chemical Physics, 1988
- Calculating the electrostatic potential of molecules in solution: Method and error assessmentJournal of Computational Chemistry, 1988
- The rigorous computation of the molecular electric potentialJournal of Computational Chemistry, 1988
- Electron-transfer reactions in solution: an ab initio approachThe Journal of Physical Chemistry, 1987
- Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effectsChemical Physics, 1981