The energetics and reactions of fullerenes have been investigated by ab initio molecular dynamics. C₆₀ and other fullerenes of similar sizes are reactive towards C₂, which can insert into the fullerene cage without an activation barrier. The computed stability and reactivity patterns suggest that the increase of abundance of C₆₀ and other locally stable fullerenes upon high-temperature annealing is due to atom and fragment exchange with other carbon clusters.
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Yi et al. (1993) studied this question.
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