Structure of small gallium clusters
β Scribed by X.G. Gong; E. Tosatti
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 368 KB
- Volume
- 166
- Category
- Article
- ISSN
- 0375-9601
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Electronic structures and stabilities of Ga,As, clusters (n= l-3) are explored by means of accurate quantum-chemical calculations using ab initio effective core potentials (ECP). Our results on GaAs and Ga2As2 are in good agreement with the conclusions from previous studies on these systems. We find
Ab initio calculations have been performed on gallium phosphate clusters: Ga(OH);, P(OH):, (HO),GaOP(OH), and Ga,P,O,(OH)s. The influences of the basis set and the level of theory on predicted configurations of the clusters are discussed. Calculated IR spectra have been analyzed and compared with e