Bond energies of small metal clusters
โ Scribed by Karl A. Gingerich; I. Shim; S.K. Gupta; J.E. Kingcade Jr.
- Book ID
- 118986296
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 691 KB
- Volume
- 156
- Category
- Article
- ISSN
- 0039-6028
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๐ SIMILAR VOLUMES
The recent success of ab initio calculations in predicting the existence of several vibrational states of Be, %'Xl (now experimentally verified) shows that it is necessary to perform highly accurate calculations on small Be clusters for results to be reliable. We report the results of such calculati
## Abstract A new approach is suggested to the assignment of bond energies in molecules and clusters. It uses a shareholder principle for the redistribution of the shifts in atomic energies, which arise in a molecule, on the bonds. The scheme is directly suitable for semiempirical methods, where on
Binding energies and bond distances are calculated with the semiempirical MO method SINDO 1. A quasilinear relationship is found between normalized binding energies or average bond distances and relative average coordination numbers. It is demonstrated that binding energy per unit and binding energy