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Structures and stabilities of hydrofullerenes. Completion of crown structures at C60H18 and C60H24

โœ Scribed by Brian W. Clare; David L. Kepert


Book ID
113258543
Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
667 KB
Volume
303
Category
Article
ISSN
0166-1280

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โœ Jerzy Cioslowski ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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