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Comparative ab Initio Study of the Structures and Stabilities of the Ethane Dication C 2 H 62+ and Its Silicon Analogues Si 2 H 62+ and CSiH 62+

โœ Scribed by Rasul, Golam; Prakash, G. K. Surya; Olah, George A.


Book ID
127053404
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
193 KB
Volume
109
Category
Article
ISSN
1089-5639

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A DFT study on the dimerization of C62,
โœ Jin Qiang Hou; Hong Seok Kang ๐Ÿ“‚ Article ๐Ÿ“… 2007 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 1006 KB

## Abstract On the basis of calculations using the density functional theory, we show that C~62~, a recently synthesized nonclassical fullerene, will presumably undergo dimerization with various isomers at elevated temperatures. This is shown by calculating the dimerization energy and the activatio