DISTANCE DISTANCE MATRICES

被引:136
作者
RANDIC, M
KLEINER, AF
DEALBA, LM
机构
[1] Department of Mathematics and Computer Science, Drake University, Des Moines
来源
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1994年 / 34卷 / 02期
关键词
D O I
10.1021/ci00018a008
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
We introduce novel matrices for graphs embedded on two- and three-dimensional grids. The matrices are defined in terms of geometrical and topological distances in such graphs. We report on some properties of these distance/distance matrices and have listed several structural invariants derived from distance/distance matrices. The normalized Perron root (the first eigenvalue) of such matrices, lambda/n, for path graphs apparently is an index of molecular folding. The ratio phi = lambda/n is 1 for (geometrically) linear structures, while it approaches 0 as the path graph is repeatedly folded.
引用
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页码:277 / 286
页数:10
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