Multicenter point charge model for high-quality molecular electrostatic potentials from AM1 calculations
- 1 May 1993
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 14 (5) , 503-509
- https://doi.org/10.1002/jcc.540140502
Abstract
No abstract availableKeywords
This publication has 25 references indexed in Scilit:
- The Extramolecular Electrostatic Potential. An Indicator of the Chemical ReactivityPublished by Springer Nature ,1991
- The application of molecular similarity calculationsJournal of Computational Chemistry, 1990
- Atomic charges derived from semiempirical methodsJournal of Computational Chemistry, 1990
- Theoretical and experimental studies of drug-receptor interactions: Determinants for recognition of 5-hydroxytryptamine analogsInternational Journal of Quantum Chemistry, 1984
- Representation of the molecular electrostatic potential by a net atomic charge modelJournal of Computational Chemistry, 1981
- Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effectsChemical Physics, 1981
- How similar is a molecule to another? An electron density measure of similarity between two molecular structuresInternational Journal of Quantum Chemistry, 1980
- Iterative partial equalization of orbital electronegativity—a rapid access to atomic chargesTetrahedron, 1980
- Quantum chemical studies of morphine-like opiate narcotics. Effect of N-substituent variationsJournal of Medicinal Chemistry, 1975
- Electronic Population Analysis on LCAO–MO Molecular Wave Functions. IThe Journal of Chemical Physics, 1955