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Ab initio study of small AunPd− (n=1–5) cluster anions

✍ Scribed by Jian-Jun Guo; Jian Shi; Ji-Xian Yang; Dong Die


Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
234 KB
Volume
393
Category
Article
ISSN
0921-4526

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Ab initio study of small gallium phospha
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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