摘要
共轭分子的π-电子总能量可通过其相应的分子图来计算,即相应图的邻接矩阵的 特征值的绝对值之和.本文给出了具有给定匹配大小的一类树图的最小能量值和次小能 量值,并给出了达到最小能量值和次小能量值的树的刻划.
The total π- electron of a conjugated molecule(with the frame of HMO approximation) can be calculated by its molecular graph, i.e., the sum of the absolute values of the eigenvalues of a graph is called its energy. In this paper, the trees with a given size of matching that have the least and second smallest energies are characterized.
出处
《系统科学与数学》
CSCD
北大核心
2003年第4期491-494,共4页
Journal of Systems Science and Mathematical Sciences
基金
国家自然科学基金(19971086)资助课题
