As we know, the molecularradius 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;
2
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.
This indices were derived from the substitution of the atom valence of vertex by atom radius in the calculations of the molecular connectivity indices.