Abstract

The thermal stability of recently predicted carbinofullerenes C₃₈, C₆₂, and C₆₄ was examined using the molecular dynamics method. Their decomposition channels and temperature dependences of the lifetime were characterized. The activation energies and frequency factors in the Arrhenius law were determined. New isomers of carbinofullerenes C₃₈ and C₆₂, which are more thermally stable than the initial carbinofullerenes, were found.

中文翻译：

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碳富勒烯C 38，C 62和C 64的热稳定性

摘要

使用分子动力学方法检查了最近预测的碳富勒烯C ₃₈，C ₆₂和C ₆₄的热稳定性。表征了它们的分解通道和寿命的温度依赖性。确定了阿雷尼乌斯定律中的活化能和频率因子。发现了新的卡比勒富勒烯C ₃₈和C ₆₂异构体，其比初始卡比勒富勒烯更热稳定。