共轭分子的π-键总能是一个重要的量子化学特征.在HMO方法的基础上,有不少人试图寻找运用范围广泛的简单近似计算公式.到目前为止,已经有很多计算公式被提出,但大多数都不尽人意.戴乾圜借图论方法得到的适用于任意稠合多环芳烃π-键总能近似计算的通式,即(β单位,下略) Π-bonds of conjugated molecules can always be an important quantum chemical feature.On the basis of HMO methods, many people are trying to find a simple and approximate formula for calculating a wide range of applications. So far, many calculation formulas have been proposed , But most of them are unsatisfactory.Dai Gan 圜 by graph theory method for any fused polycyclic aromatic π-bond can be approximated by the general formula, namely (β units, omitted)