谈分子键级的计算方法

The Calculation Method of Molecular Bond Order

介绍了计算分子键级的分子轨道法、电子空位对假说、休克尔分子轨道法,并重点就分子轨道理论和电子空位对假说进行比较分析,从而使得处理分子键级简单、明了、全面,为在处理具体问题如何择取提供参考。

An introduction to the molecular-orbital theory for the calculations of bond order, the hypothesis of electron hole pair and Huckel molecular-orbital theory. The emphasis is the comparison between molecular-orbital theory and electron hole pair, in dealing with the specific issues how to choose to provide reference.