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利用自由电子模型讨论具有螺旋对称性的高分子时,所得能级公式与直线构型的完全相同。为了考虑螺旋构型对能级和波函数的影响,我们建立了此类构型分子的半经验MO的一般处理法,并将其应用于多烯烃螺旋结构的情况。
When using the free electron model to discuss polymers with helical symmetry, the resulting energy level formula is exactly the same as the straight line configuration. In order to consider the effect of helical configuration on energy levels and wave functions, we establish a generalized semi-empirical MO method for this type of configurational molecule and apply it to the case of multi-olefin helical structures.