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An ab-initio study of photoabsorption spectrum of ultra small CdS clusters

โœ Scribed by P.H. Dhuvad; A.C. Sharma


Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
525 KB
Volume
42
Category
Article
ISSN
1386-9477

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โœ Vladimir Murashov ๐Ÿ“‚ Article ๐Ÿ“… 1995 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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