Valence-bond studies of AH2molecules
โ Scribed by Ian J. Doonan; Robert G. A. R. Maclagan
- Book ID
- 104805371
- Publisher
- Springer
- Year
- 1978
- Tongue
- English
- Weight
- 272 KB
- Volume
- 50
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
## Abstract The dioxygen molecule has been the subject of valence bond (VB) studies since 1930s, as it was considered as the first โfailureโ 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
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