BPAS

We now show how to calculate molecular dipole moments from wave function.

我们现在说明如何从波函数来计算分子的偶极矩.

study of the ir and uv spectra on molecular dipole polymer electret

分子偶极聚合物驻极体的红外和可见光谱研究

Results show that the molecules whether or not have a plane configuration and conjugated system, the net charge at position 3 ′ and molecular dipole moment are the main factors to affect activity.

结果表明，分子是否具有平面构型和广泛共轭体系、3′位C原子的净电荷、分子偶极矩等参数的差异是影响各异构体药效的主要因素。

Improving the negative charge at position 3 ′ and molecular dipole moment can increase the anticancer activity.

提高3′位C原子的负电荷和增大分子偶极矩将有助于提高化合物的抗癌活性。

only large molecular dipole moment (such as water), orientation is the main force;

只有偶极矩很大的分子（如水），取向力才是主要的；