论文部分内容阅读
由本征多项式直接求共轭分子π电子总能量已有很多报导。本工作在已知本征多项式基础上,根据多项式根与系数关系,导出计算π电子总能量关系式。这方面工作尚未见报导。 我们用图论计数的办法给出简便计算共轭分子本征多项式的方法。并证明含n个碳原子不含奇元环的共轭分子本征多项式为:
There are many reports on the direct total energy of π electron from the eigenpolynomial. Based on the known eigenvalue polynomials, the relationship between the total energy of π-electron and the polynomial root-coefficient relationship is deduced. Work in this area has not been reported yet. We use the method of graph theory to count and give a simple method to calculate the intrinsic polynomial of conjugate molecule. And prove that the intrinsic polynomial of conjugate molecule containing n carbon atoms without an odd-membered ring is: