Unicyclic graphs possessing Kekule structures with minimal energy

被引:18
作者
Wang, Wen-Huan [1 ]
Chang, An
Lu, Dong-Qiang
机构
[1] Shanghai Univ, Dept Math, Shanghai 200444, Peoples R China
[2] Fuzhou Univ, Dept Math, Fujian 350002, Peoples R China
[3] Shanghai Univ, Shanghai Inst Appl Math & Mech, Shanghai 200072, Peoples R China
基金
中国国家自然科学基金;
关键词
unicyclic graph; perfect matching; Kekule structure; minimal energy;
D O I
10.1007/s10910-006-9096-7
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Unicyclic graphs possessing Kekule structures with minimal energy are considered. Let n and l be the numbers of vertices of graph and cycle C-l contained in the graph, respectively; r and j positive integers. It is mathematically verified that for n >= 6 and l = 2r + 1 or l = 4 j + 2, S-n(4) has the minimal energy in the graphs exclusive of S-n(3), where S-n(4) is a graph obtained by attaching one pendant edge to each of any two adjacent vertices of C-4 and then by attaching n/2-3 paths of length 2 to one of the two vertices; S-n(3) is a graph obtained by attaching one pendant edge and n/2-2 paths of length 2 to one vertex of C-3. In addition, we claim that for 6 <= n <= 12, S-n(4) has the minimal energy among all the graphs considered while for n >= 14, S-n(3) has the minimal energy.
引用
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页码:311 / 320
页数:10
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