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Ab initio study of small AunPd2 () clusters

โœ Scribed by Guo Jian-Jun; Yang Ji-Xian; Die Dong


Publisher
Elsevier Science
Year
2005
Tongue
English
Weight
232 KB
Volume
367
Category
Article
ISSN
0921-4526

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Ab initio study of small gallium phospha
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