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Initial steps of thermal transformation from doubly bonded [2+2] (1) and [4+4] (2) dimers of C60 have been analyzed on the basis of computed structural features and Pople's energy partition scheme. Completely conjugated C120 structures 3 and 4 are found to be considerably stable and proposed to be important intermediates. The linkage patterns in 3 and 4 are also likely to appear in the repeating units of the metastable dimer and polymer phases of A1 crystals.
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