Implementation of reaction field methods in quantum chemistry computer codes
- 1 January 1995
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 16 (1), 37-55
- https://doi.org/10.1002/jcc.540160105
Abstract
No abstract availableKeywords
This publication has 72 references indexed in Scilit:
- A theoretical model for SN1 ionic dissociation in solution. 1. Activation free energetics and transition-state structureJournal of the American Chemical Society, 1992
- Theoretical treatment of solvent effects on electronic spectroscopyThe Journal of Physical Chemistry, 1992
- The electric potential of a macromolecule in a solvent: A fundamental approachJournal of Computational Physics, 1991
- Theory of solvent effects on electronic spectraJournal of Molecular Structure: THEOCHEM, 1991
- Theoretical studies of van der Waals molecules and intermolecular forcesChemical Reviews, 1988
- Unified Approach for Molecular Dynamics and Density-Functional TheoryPhysical Review Letters, 1985
- On the quantum mechanical treatment of solvent effectsTheoretical Chemistry Accounts, 1980
- Symmetry-adapted double-perturbation analysis of intramolecular correlation effects in weak intermolecular interactionsMolecular Physics, 1979
- On the convergence properties of the Rayleigh–Schrödinger and the Hirschfelder–Silbey perturbation expansions for molecular interaction energiesInternational Journal of Quantum Chemistry, 1977
- Convergence properties of the intermolecular force series (1/R-expansion)Theoretical Chemistry Accounts, 1976