Article
Approximate Self‐Consistent Molecular‐Orbital Theory. VI. INDO Calculated Equilibrium Geometries
Journal of Chemical Physics
(1968)
Abstract
The INDO (intermediate neglect of differential overlap) self-consistent theory has been used to calculate equilibrium geometries for a series of small polyatomic molecules with one or two polyvalent atoms (carbon, nitrogen, or oxygen). The results are compared with experimental data where available.
Disciplines
Publication Date
1968
Publisher Statement
Copyright 1968 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.
Citation Information
Mark S. Gordon and J. A. Pople. "Approximate Self‐Consistent Molecular‐Orbital Theory. VI. INDO Calculated Equilibrium Geometries" Journal of Chemical Physics Vol. 49 (1968) Available at: http://works.bepress.com/mark_gordon/14/