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A theoretical study of the dependence of the ASxSi6−x cluster structures and properties on composition

✍ Scribed by Aimei Gao; Guoliang Li; David Finlow; Hongyu Chen; Qian-Shu Li


Publisher
John Wiley and Sons
Year
2011
Tongue
English
Weight
749 KB
Volume
112
Category
Article
ISSN
0020-7608

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A theoretical study of the structure and
✍ J.R. Sabin; H. Kim 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 500 KB

An nb initio LCCO Al0 SCI? olcuhtion with a full geometry srarch is urried out on CC)>. The structure is dctermined to have Czv symmetry with C-O hot??. bngths of 1.265 .A and 1 A73 A and a bond angk of 66.X". The unique oxygen atom is apparently of the cubouyl type and there is a weak bond between