Original scientific paper

Factors Governing Nuclear Geometry and Bond-Orbital Directions in Second Row AH2 Molecules

Bernard Kirtman ; Department of Chemistry, University of California, Santa Barbara, Ca. 93106, USA
William E. Palke ; Department of Chemistry, University of California, Santa Barbara, Ca. 93106, USA

Abstract

We have obtained valence bond waivefunctions for the neutral,
positive ion, and lower excited states of second row AH2 molecules.
A number of simple rules emerge which govern the nuclear geometry
and bond-orbital directions. These are explained in terms of valence bond orbital characteristics as well as an analysis of energy components.

Keywords

Hrčak ID:

194018

URI

https://hrcak.srce.hr/194018

Publication date:

21.5.1985.

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