Net Atomic Charge and Multipole Models for the ab Initio Molecular Electric Potential
- 1 January 1991
- book chapter
- Published by Wiley in Reviews in Computational Chemistry
Abstract
No abstract availableKeywords
This publication has 150 references indexed in Scilit:
- Phases and phase changes of molecular clusters generated in supersonic flowThe Journal of Physical Chemistry, 1989
- Direct evaluation of nonbonding interactions from ab initio calculationsJournal of the American Chemical Society, 1989
- Cumulative atomic multipole moments and point charge models describing molecular charge distributionComputer Physics Communications, 1989
- Representation of the molecular electrostatic potential by atomic multipole and bond dipole modelsJournal of Computational Chemistry, 1988
- Theoretical studies of van der Waals molecules and intermolecular forcesChemical Reviews, 1988
- Electronegativity equalization: application and parametrizationJournal of the American Chemical Society, 1985
- A method of describing the charge distribution in simple moleculesJournal of the American Chemical Society, 1978
- A general analysis of noncovalent intermolecular interactionsJournal of the American Chemical Society, 1977
- Consistent Force Field Calculations. II. Crystal Structures, Sublimation Energies, Molecular and Lattice Vibrations, Molecular Conformations, and Enthalpies of AlkanesThe Journal of Chemical Physics, 1970
- On the hydrogen bonding scheme between purines and pyrimidinesJournal of Theoretical Biology, 1966