Abstract
Seven different regioisomers of C 60 trimers with intact cages have been calculated at the empirical tight-binding total energy calculation method. We analyze the atomic structure and energetics of seven different trimers except the sterically demanding cis-1. The trimers are formed by the linkage through a [2+2] cycloaddition. The energies of the trans-3, trans-1, trans-2, trans-4, cis-3 and cis- 2 regioisomers relative to the most stable equatorial regioisomer are 13, 19, 20, 30, 207 and 673 meV, respectively.
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