Abstract
The thermal stability of the C9H10 methylcubane molecule was studied over the temperature range 1100–2100 K by molecular dynamics simulation with the tight binding potential. The temperature dependence of its lifetime to the decomposition moment was determined. The activation energy E a = 1.7 ± 0.2 eV and frequency factor A = 1015.63 ± 0.53 s−1 of the Arrhenius equation were found. Possible channels and final products of molecule decomposition were studied.
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