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Tube and Cage C 60 H 60 : A Comparison with C 60 F 60

โœ Scribed by Jia, Jianfeng; Wu, Hai-Shun; Xu, Xiao-Hong; Zhang, Xian-Ming; Jiao, Haijun


Book ID
126241364
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
716 KB
Volume
10
Category
Article
ISSN
1523-7060

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Electronic structures of the icosahedral
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