Residual charges on atoms in organic structures: A new algorithm for their calculation
- 31 December 1989
- journal article
- Published by Elsevier in Tetrahedron Computer Methodology
- Vol. 2 (1) , 37-46
- https://doi.org/10.1016/0898-5529(89)90027-4
Abstract
No abstract availableKeywords
This publication has 33 references indexed in Scilit:
- Atomic and group electronegativities from the electron-density distributions of moleculesJournal of the American Chemical Society, 1988
- Organic synthesis planning: a new algorithm for strategic bond perceptionTetrahedron, 1988
- Atomic orbital populations and atomic charges from self-consistent field molecular orbital wavefunctionsJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1987
- Natural population analysisThe Journal of Chemical Physics, 1985
- Atoms in moleculesAccounts of Chemical Research, 1985
- How well does the Hartree–Fock model predict equilibrium geometries of transition metal complexes? Large-scale LCAO–SCF studies on ferrocene and decamethylferroceneThe Journal of Chemical Physics, 1982
- A topological theory of molecular structureReports on Progress in Physics, 1981
- Quantum Theory of Atoms in Molecules–Dalton RevisitedPublished by Elsevier ,1981
- Integrated spatial electron populations in molecules: Application to simple moleculesJournal of Computational Chemistry, 1980
- Electronic Population Analysis on LCAO–MO Molecular Wave Functions. IThe Journal of Chemical Physics, 1955