Classical structures in modern valence bond theory
โ Scribed by Roy McWeeny
- Publisher
- Springer
- Year
- 1988
- Tongue
- English
- Weight
- 449 KB
- Volume
- 73
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
In this work the classical valence-bond VB theory of the 1930s is recast ลฝ . in a fully ab initio modern form. The basic premises are simply i that valency is associated with singly occupied orbitals on the constituent atoms of a molecule, more ลฝ . tightly bound electrons being assigned to a ''core,
The ground state of benzocyclobutadiene, a bicyclic molecule with 8rr electrons containing a benzene and a cyclobutadiene ring, is studied by means of modern valence bond (VB) theory in its spin-coupled (SC) form and the complete-active-space self-consistent field (CAS SCF) approach. The CAS SCF wav
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