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化学学报
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化学学报 ›› 1954, Vol. 20 ›› Issue (1): 46-67. 上一篇    下一篇

论文

分子内旋转问题

唐敖庆   

  1. 东北人民大学化学系
  • 投稿日期:1954-01-17 发布日期:2013-06-04

PROBLEM OF INTERNAL ROTATIONS OF MOLECULES

TANG AUCHIN   

  1. Department of Chemistry, Northeastern People's University
  • Received:1954-01-17 Published:2013-06-04

PDF

646

被引次数

3

本文对分子内旋转问题作了以下的贡献:首先在理论上,提供了一种分子内旋转势函数的新的计算方法。这种新方法不仅理论上来得谨严,避免了以往旧方法中的一些缺点,而且比较简单,应用范围也因此比较广泛。

In this paper a new method has been proposed for computing the potential functions of internal rotations. Applying this method, we have calculated the potential functions of several important molecules, such as 1,2-dichloroethane,1,1,2-trichloroethane, 1,1,2,2-tetrachloroethane, n-butane, 2-methyl butane,dimethyl butane, etc. All the calculated results agree with the experimental data.