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；
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。
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。
Molecular dissociation energies are evaluated using the AEM which is a method based on the AM vibrational spectrum and the energy bounds analyzed in the content.
使用基于AM方法的代数能量方法（AEM）获得了这些电子态的正确分子离解能。
Molecular dissociation energies are evaluated using the AEM which is a method based on the AM vibrational spectrum and the energy bounds analyzed in the content.
使用基于AM方法的代数能量方法（AEM）获得了这些电子态的正确分子离解能。
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