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Ab initio study of phase transition and thermodynamic properties of PtN

✍ Scribed by Feng Peng; Hongzhi Fu; Xiangdong Yang


Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
265 KB
Volume
403
Category
Article
ISSN
0921-4526

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Ab initio study of electronic structures
✍ Wei-Xing Xu; K. D. Schierbaum; W. Goepel πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 194 KB πŸ‘ 2 views

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