As we know, the molecular radius is a key factor in calculating the spectral shift, and the methods used to measure it in experiment and theory have been briefly reviewed.
分子半径作为确定光谱移动的关键因素，其测量和理论计算的几种方法也被详细介绍；
The effects of initial different crystal lattice of simulated system on balance temperature and cut-off radius on total balance energy were discussed in NVE ensemble by molecular dynamics simulation.
本文应用分子动力学模拟方法，讨论了NVE系综中不同初始晶格类型对模拟系统平衡温度和截断半径对模拟系统平衡总能的影响。
This indices were derived from the substitution of the atom valence of vertex by atom radius in the calculations of the molecular connectivity indices.
这种修正的分子连接性指数是由原子半径取代原子的点价计算得来。
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