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Core electron level structure in C60F18and C60F36fluorinated fullerenes

✍ Scribed by V. M. Mikoushkin; V. V. Shnitov; V. V. Bryzgalov; Yu. S. Gordeev; O. V. Boltalina; I. V. Goldt; S. L. Molodtsov; D. V. Vyalikh

Book ID
111450319
Publisher
SP MAIK Nauka/Interperiodica
Year
2009
Tongue
English
Weight
200 KB
Volume
35
Category
Article
ISSN
1063-7850

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Electronic structures of the icosahedral
Electronic structures of the icosahedral C60H60 and C60F60 molecules
✍ Jerzy Cioslowski πŸ“‚ Article πŸ“… 1991 πŸ› Elsevier Science 🌐 English βš– 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