... localized bond 定域键 localized molecular orbital 定域分子轨道 localized random mutagenesis 定域随机诱变,局部随机诱变 ...
基于16个网页-相关网页
提出了利用定域分子轨道重心确定分子轨道的对称性。
The centroids of localized orbitals (LMO_s) are used to determine the symmetry of LMO_s.
在计算中使用了一种新的试探函数,其行列式部分由以类氢函数为基的定域分子轨道组成。
A novel tri-al function has been employed in the calculation, its determinant being composed of the localized molecular orbitals on the basis of the hydrogen-like functions.
应用推荐