ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
A formalism that describes the variation of the spectroscopic properties, De, Re, and ke, of homonuclear, diatomic molecules, with the number of molecular electrons has been developed. The theory describes the interrelation of these properties and predicts “critical” behavior in sequences of “isonuclear” and neutral molecules. Detailed calculations are possible with the help of experimental data in lieu of a deeper, dynamical theory of molecular behavior with respect to electron number. The present work points the way toward a first-principle's theory. © 1992 John Wiley & Sons, Inc.
Additional Material:
16 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560440103
Permalink
