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
收藏
页码:277 / 286
页数:10
相关论文
共 61 条
[1]  
[Anonymous], 2018, CHEM GRAPH THEORY
[2]  
[Anonymous], 1976, MOL CONNECTIVITY CHE
[3]   HIGHLY DISCRIMINATING DISTANCE-BASED TOPOLOGICAL INDEX [J].
BALABAN, AT .
CHEMICAL PHYSICS LETTERS, 1982, 89 (05) :399-404
[4]   TOPOLOGICAL INDEXES BASED ON TOPOLOGICAL DISTANCES IN MOLECULAR GRAPHS [J].
BALABAN, AT .
PURE AND APPLIED CHEMISTRY, 1983, 55 (02) :199-206
[5]  
BALABAN AT, 1983, TOP CURR CHEM, V114, P21
[6]  
BALABAN AT, 1976, CHEM APPLICATIONS GR
[7]  
BALABAN AT, 1983, MATH CHEM, V14, P213
[8]   GEOMETRY-DEPENDENT CHARACTERISTIC-POLYNOMIALS OF MOLECULAR-STRUCTURES [J].
BALASUBRAMANIAN, K .
CHEMICAL PHYSICS LETTERS, 1990, 169 (03) :224-228
[9]   TOPOLOGICAL INDEXES - THEIR NATURE, MUTUAL RELATEDNESS, AND APPLICATIONS [J].
BASAK, SC ;
NIEMI, GJ ;
REGAL, RR ;
VEITH, GD .
MATHEMATICAL MODELLING, 1987, 8 :300-305
[10]   ON THE 3-DIMENSIONAL WIENER NUMBER - A COMMENT [J].
BOGDANOV, B ;
NIKOLIC, S ;
TRINAJSTIC, N .
JOURNAL OF MATHEMATICAL CHEMISTRY, 1990, 5 (03) :305-306