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运用 Ｇ９４Ｗ量子化学程序包，在 ＨＦ／６－３１＋ Ｇ基组和全几何优化的水平上，对一系列烷烃及其取代烷烃分子进行从头计算．通过比较母体烷烃及取代烷烃中原子的电荷，进一步证实并具体阐述取代烷烃有如共轭体系那样也存在极性交替规律．并着重提出了诱导极性有向叠加的观点，探讨其在定性分析键型相同的同分异构体稳定性等方面的应用．
Using the G94W Quantum Chemistry Package, ab initio calculations of a series of alkanes and their substituted alkane molecules are performed at HF / 6-31 + G basis sets and at full geometry optimization. By comparing the charge of the parent alkane with that of the substituted alkane, it is further confirmed that the substitutional alkane has the same polarity as the conjugate system. And puts forward the point of view of inducing the directional superposition of polarity, and discusses its application in the qualitative analysis of the same isomer stability and so on.