Valence bond study of theB1σu+state of the hydrogen molecule
✍ Scribed by Aage E. Hansen; Kai Kampp
- Publisher
- Springer
- Year
- 1969
- Tongue
- English
- Weight
- 370 KB
- Volume
- 13
- Category
- Article
- ISSN
- 1432-2234
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📜 SIMILAR VOLUMES
Potetitial energy curYe for the excited B "YE+ state of the Ily&o~en mdlxulc WBS computed for intemuc1cv distances u 1.2 -G R -z 5.0 nu.-l-he dissocirtion-crgescv~uatedforH\*,HD aryd D~~csbovctheexperimen~resultsby 0.9.3.1xnd 27.2 qn-', respectively. The wavefunctionsobtained are employed to conputc
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 “failure” 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