Abstract
The determination of charge distributions in polyatomic ions through both energetic and quantum mechanical (CNDO/2) methods is discussed. Results from both methods are shown to be in good agreement.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
Ladd,M.F.C.: Trans. Faraday Soc. 65, 2712 (1969).
Bertant,F.: J. Physics Radium 13, 499 (1952).
Templeton,D.H.: J. chem. Physics 23, 1629 (1955).
Jones,R.E., Templeton,D.H.: J. chem. Physics 25, 1062 (1956).
Wyckoff,R.W.G.: Crystal structures, Vol. 2, 1967.
International critical tables. Vol. 3, 1928.
Pople,J.A., Santry,D.P., Segal,G.A.: J. chem. Physics 43, S129 (1965).
Jaffe,H.H., Del Bene,J.: J. chem. Physics 48, 1807 (1968).
Author information
Authors and Affiliations
Additional information
The author is grateful to Dr. R. Grinter of the University of East Anglia for assistance with the quantum mechanical calculations.
Rights and permissions
About this article
Cite this article
Ladd, M.F.C. Charge distributions in polyatomic ions. Theoret. Chim. Acta 25, 400–402 (1972). https://doi.org/10.1007/BF00526573
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF00526573