Molecular electrostatics. A comprehensive topographical approach
- 11 December 1992
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 200 (4), 373-378
- https://doi.org/10.1016/0009-2614(92)87006-b
Abstract
No abstract availableKeywords
This publication has 16 references indexed in Scilit:
- Deriving chemical parameters from electrostatic potential maps of molecular anionsInorganic Chemistry, 1992
- Molecular electrostatic potentials: A topographical studyThe Journal of Chemical Physics, 1992
- Relative basicities of the oxygen sites in [V10O28]6-. An analysis of the ab initio determined distributions of the electrostatic potential and of the Laplacian of charge densityJournal of the American Chemical Society, 1992
- Ab initio SCF calculations on [V10O28]6−: A benchmark for the classical calculation and processing of molecular integrals on large Gaussian basis setsInternational Journal of Quantum Chemistry, 1991
- A general parallel algorithm for the generation of moleular electrostatic potential mapsChemical Physics Letters, 1990
- Electronic structure calculations on workstation computers: The program system turbomoleChemical Physics Letters, 1989
- Improvements on the direct SCF methodJournal of Computational Chemistry, 1989
- Molecular electrostatic fields from bond fragmentsInternational Journal of Quantum Chemistry, 1987
- A topological theory of molecular structureReports on Progress in Physics, 1981
- Evaluation of molecular integrals over Gaussian basis functionsThe Journal of Chemical Physics, 1976