Valence bond functions for the hydrogen molecule
β Scribed by L. J. Schaad; I. L. Thomas
- Publisher
- Springer
- Year
- 1971
- Tongue
- English
- Weight
- 628 KB
- Volume
- 21
- Category
- Article
- ISSN
- 1432-2234
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π SIMILAR VOLUMES
## Abstract The roles of kinetic and potential energy operators in the formation of a chemical bond are investigated using the virial and electrostatic theorems. It is shown that an integrated form of the virial theorem throws a new light on a paradox involving changes in the mean kinetic energy on
Ab initio valence bond calculations are performed for the three lowest states of the oxygen molecule ('Xi, \*Ag, and '2;). One objective of the present study was to make a contribution to previous valence bond discussions about the oxygen "double" bond. Further, we study the origin of a small barrie
## Abstract The dioxygen molecule has been the subject of valence bond (VB) studies since 1930s, as it was considered as the first βfailureβ of VB theory. The object of this article is to provide an unambiguous VB interpretation for the nature of chemical bonding of the molecule by means of modern