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Ab initio study of small gold clusters

✍ Scribed by G. Bravo-Pérez; I.L. Garzón; O. Novaro

Book ID
114143794
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
149 KB
Volume
493
Category
Article
ISSN
0166-1280

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Ab initio study of small gallium phospha
Ab initio study of small gallium phosphate clusters
✍ Vladimir Murashov 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 574 KB

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