从而在基函数中避免了电子云分布的歪曲,使得出的体系的电偶极矩更为精确。
So it avoids the distortion of electric cloud distribution in basis sets and can obtain a more precise computational result of the electric dipole moment of a given system.
HOMO和LUMO上电子云主要集中在主链芴环上,侧链上几乎没有电子云分布,与其它轨道相比电子流动性较强。
The electronic clouds focus on the main chain fluorene units but none on side ones on both HOMO and LUMO.
空间电荷透镜的聚焦特性决定于其电子云的大小、形状和密度分布。
The focusing properties of a space-charge lens depend on the size, shape and density distribution of its electron cloud.
应用推荐