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苯稠环芳烃分子中的环电流,可以用分子轨道法计算,但计算方法比较复杂.本文在价键法的基础上提出一种新的计算环电流的方法.计算过程简单,所得结果能很好地与实验测定数值符合.
The ring current in the molecules of benzofused aromatic hydrocarbons can be calculated by the molecular orbital method, but the calculation method is rather complicated.This paper presents a new method of calculating the ring current based on the valence bond method.The calculation process is simple and the results obtained are very good Good with the experimental values ?? match.