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Konstantin P. Katin, Valeriy B. Merinov, Alexey I. Kochaev, Savas Kaya and Mikhail M. Maslov
We combined ab initio molecular dynamics with the intrinsic reaction coordinate in order to investigate the mechanisms of stability and pyrolysis of N4 ÷ N120 fullerene-like nitrogen cages. The stability of the cages was evaluated in terms of the activat...
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