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Ab Initio Investigation of Structures and Stability of Si n C m Clusters

โœ Scribed by Jiang, Zhen-Yi; Xu, Xiao-Hong; Wu, Hai-Shun; Jin, Zhi-Hao


Book ID
125968485
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
80 KB
Volume
107
Category
Article
ISSN
1089-5639

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Ab initio study of electronic structures
โœ Wei-Xing Xu; K. D. Schierbaum; W. Goepel ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 194 KB ๐Ÿ‘ 2 views

Electronic structures of a series of Pt clusters n s 2แސ12 have been n ลฝ . 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