TITLE

Search for the ground-state structure of C84

AUTHOR(S)
Zhang, B. L.; Wang, C. Z.; Ho, K. M.
PUB. DATE
May 1992
SOURCE
Journal of Chemical Physics;5/1/1992, Vol. 96 Issue 9, p7183
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Using a well-tested tight-binding potential, we have studied all twenty-four isolated-pentagon isomers of the C84 fullerene. Unlike C76, the helical D2 isomer of C84 is energetically very unfavorable. Two isomers which have D2 and D2d symmetries are found to be much more stable than the rest. The energies of these two isomers are so close that they may coexist in synthesis.
ACCESSION #
7618494

 

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