TOPOLOGICAL INDEXES AND REAL NUMBER VERTEX INVARIANTS BASED ON GRAPH EIGENVALUES OR EIGENVECTORS

被引:145
|
作者
BALABAN, AT [1 ]
CIUBOTARIU, D [1 ]
MEDELEANU, M [1 ]
机构
[1] INST POLYTECH TRAIAN VUIA,DEPT ORGAN CHEM,TIMISOARA,ROMANIA
关键词
D O I
10.1021/ci00004a014
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Eigenvectors obtained from the adjacency or distance matrix of graphs, corresponding to the largest negative eigenvalue, are useful real number vertex invariants for intramolecular ordering of vertices. From them or from eigenvalues, several new topological indices have been tested on the basis of intermolecular of isomeric alkanes and of correlating ability with properties such as the boiling temperature.
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页码:517 / 523
页数:7
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