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An ab initio study of niobium ( n = 2–11) clusters: structure, stability and magnetism

✍ Scribed by Feng-Zhu, Ren; Yuan-Xu, Wang; Guang-Biao, Zhang; Shu-Ke, Wei; You-Hua, Luo


Book ID
120205866
Publisher
IOP Publishing
Year
2009
Tongue
English
Weight
937 KB
Volume
18
Category
Article
ISSN
1674-1056

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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