Search for the ground-state structure of C84
- 1 May 1992
- journal article
- letter
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 96 (9) , 7183-7185
- https://doi.org/10.1063/1.462532
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.Keywords
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