高等学校化学学报

高等学校化学学报 ›› 1985, Vol. 6 ›› Issue (12): 1117.

• 研究简报 • 上一篇    下一篇

以键矩矢量和法计算分子偶极矩

李鸿图, 王宁东, 董春风   

  1. 辽宁大学化学系
  • 收稿日期:1984-03-01 出版日期:1985-12-24 发布日期:1985-12-24

Calculation of Molecular Dipole Moments by Vector Sum of Bond Dipole Moments

Li Hongtu, Wang Ningdong, Dong Chunfeng   

  1. Department of Chemistry, Liaoning University, Shenyang
  • Received:1984-03-01 Online:1985-12-24 Published:1985-12-24

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被引次数

3

摘要： 我们以键矩矢量和法编制了分子偶极矩的计算程序VSBD,并对多种类型的有机分子共一百多个进行了计算。

Abstract: According to the principle of vector sum of bond dipole moments a VSBDprogram has been carried out.More than one hundred dipole moment of organic molecules are calculated.The results of calculation are in agreement with experimental data.Hence this program can be used for approximate calculation of dipole moment of bigger molecules.

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