We verify the theory of same weight for distribution in molecular energy about the term of vibrational potential as well as various degrees of freedom of the molecules.

验证了振动势能项将以与平动、振动、转动各自由度一样的权重分配分子能量的理论；

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Energy relaxation processes initiated by suddenly heating of the vibrational degrees of freedom were studied with molecular dynamical method.

用分子动力学方法研究瞬时加热振动自由度后的能量弛豫过程。

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The molecular geometry and the fundamental vibrational frequency are insensitive to the computation conditions, while the total energy and bond energy are pretty sensitive.

分子几何构型和振动基频对计算条件不太敏感，总能量和键能对计算结果较敏感。

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