Ab initio study of small AunY2 (n=1–4) clusters
✍ Scribed by Guo Jian-Jun; Yang Ji-Xian; Die Dong
- Publisher
- Elsevier Science
- Year
- 2008
- Tongue
- English
- Weight
- 302 KB
- Volume
- 403
- Category
- Article
- ISSN
- 0921-4526
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
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
Electronic structures of a series of Pt clusters n s 2᎐12 have been n Ž . calculated by ab initio method SCFrMP2 . The result shows that compared to that at the saturated coordination site, Pt at the unsaturated coordination site has lower Pt 6 s electron occupancies, and the relationship between th