Gaussian multipoles in practice: Electrostatic energies for intermolecular potentials
- 1 November 1994
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 15 (11), 1187-1198
- https://doi.org/10.1002/jcc.540151102
Abstract
No abstract availableKeywords
This publication has 35 references indexed in Scilit:
- Gaussian multipole functions for describing molecular charge distributionsMolecular Physics, 1993
- A new distributed multipole procedure for linear moleculesChemical Physics Letters, 1993
- A systematic intermolecular potential method applied to chlorineMolecular Physics, 1990
- The nature of the N - H…︁OC hydrogen bond: An intermolecular perturbation theory study of the formamide/formaldehyde complexJournal of Computational Chemistry, 1990
- A transferable distributed multipole model for the electrostatic interactions of peptides and amidesJournal of the American Chemical Society, 1990
- An overlap model for estimating the anisotropy of repulsionMolecular Physics, 1990
- Distributed multipole analysisMolecular Physics, 1985
- Explicit formulae for the electrostatic energy, forces and torques between a pair of molecules of arbitrary symmetryMolecular Physics, 1984
- Distributed multipole analysis, or how to describe a molecular charge distributionChemical Physics Letters, 1981
- Explicit Formulas for Molecular Integrals over Hermite–Gaussian FunctionsThe Journal of Chemical Physics, 1968