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The electronic structure of f.c.c. and γ-AgI

✍ Scribed by H. Overhof


Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
264 KB
Volume
38
Category
Article
ISSN
0022-3697

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📜 SIMILAR VOLUMES


Electronic structures of the icosahedral
✍ Jerzy Cioslowski 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 411 KB

Electronic structures of the icosahedral C&H,,, hydrocarbon and its perfhroro analog, C6nF6,,, are examined at the HF/4-31G and HF/6-3 lG\*\* levels. The calculated C-C bond lengths are as large as 1.57 A in C63Hb0 and 1.63 A in CbDF60. The bond lengthening is attributed to the H-H and F-F steric in