Graph-theoretical analysis of the bonding topology in polyhedral organic cations
β Scribed by Alexandru T. Balaban; Dennis H. Rouvray
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- French
- Weight
- 605 KB
- Volume
- 36
- Category
- Article
- ISSN
- 0040-4020
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π SIMILAR VOLUMES
The graph-theory derived model for the bonding topology in the globally delocalized polyhedral boranes B6H;-and Bl2H1:-is evaluated by comparison of the energies of the core molecular orbitals with those obtained by the 1962 LCAO-MO extended Hiickel calculations of Hoffmann and Lipscomb. Of particul
## Abstract Subgraph isomorphism and maximum common subgraph isomorphism algorithms from graph theory provide an effective and an efficient way of identifying structural relationships between biological macromolecules. They thus provide a natural complement to the pattern matching algorithms that a