论文部分内容阅读
我们曾就直链交替烯烃探讨了Huckel分子轨道方法的改进方案,通过对逐个分子直接解行列式方程得到了令人满意的结果.本文给出一个计算能级的通式. 直链交替烯烃能级通式唐敖庆、徐光宪曾用差分方程法与图形理论得到以下两个公式:
We have discussed the improved scheme of the Huckel molecular orbital method for linear alternating olefins, and obtained a satisfactory result by solving the deterministic equation directly by molecules. In this paper, we give a general formula for calculating the energy level. Level general Tang Aoqing, Xu Guangxian used the differential equation method and graph theory to get the following two formulas: