Atomic charges from atomic polar tensors: A comparison of methods
- 1 September 2010
- journal article
- Published by Elsevier in Journal of Molecular Structure: THEOCHEM
- Vol. 955 (1-3) , 158-164
Abstract
No abstract availableThis publication has 43 references indexed in Scilit:
- A quantum theory of molecular structure and its applicationsChemical Reviews, 1991
- Atomic charges derived from semiempirical methodsJournal of Computational Chemistry, 1990
- Intermolecular interactions from a natural bond orbital, donor-acceptor viewpointChemical Reviews, 1988
- Atomic charges derived from electrostatic potentials: A detailed studyJournal of Computational Chemistry, 1987
- Natural population analysisThe Journal of Chemical Physics, 1985
- An approach to computing electrostatic charges for moleculesJournal of Computational Chemistry, 1984
- Bonded-atom fragments for describing molecular charge densitiesTheoretical Chemistry Accounts, 1977
- On the Nonorthogonality Problem1970
- Electronic Population Analysis on LCAO–MO Molecular Wave Functions. IThe Journal of Chemical Physics, 1955
- On the Non-Orthogonality Problem Connected with the Use of Atomic Wave Functions in the Theory of Molecules and CrystalsThe Journal of Chemical Physics, 1950