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

被引：147

作者：

BALABAN, AT ^{[1
]}

CIUBOTARIU, D ^{[1
]}

MEDELEANU, M ^{[1
]}

机构：

[1] INST POLYTECH TRAIAN VUIA,DEPT ORGAN CHEM,TIMISOARA,ROMANIA

来源：

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1991年 / 31卷 / 04期

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.

引用

页码：517 / 523

页数：7

共 11 条

[1] HIGHLY DISCRIMINATING DISTANCE-BASED TOPOLOGICAL INDEX [J].

BALABAN, AT .

CHEMICAL PHYSICS LETTERS, 1982, 89 (05) :399-404

[2] TOPOLOGICAL INDEXES BASED ON TOPOLOGICAL DISTANCES IN MOLECULAR GRAPHS [J].

BALABAN, AT .

PURE AND APPLIED CHEMISTRY, 1983, 55 (02) :199-206

[3]

BALABAN AT, IN PRESS J MATH CHEM

[4] BRANCHING IN GRAPHS AND MOLECULES [J].

BERTZ, SH .

DISCRETE APPLIED MATHEMATICS, 1988, 19 (1-3) :65-83

[5] INFORMATION-THEORY, DISTANCE MATRIX, AND MOLECULAR BRANCHING [J].

BONCHEV, D ;

TRINAJSTIC, N .

JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (10) :4517-4533

[6] ALGEBRAIC CHARACTERIZATION OF SKELETAL BRANCHING [J].

GUTMAN, I ;

RANDIC, M .

CHEMICAL PHYSICS LETTERS, 1977, 47 (01) :15-19

[7]

LOVASZ L, 1972, J PERIOD MATH HUNG, V3, P175

[8] CHARACTERIZATION OF MOLECULAR BRANCHING [J].

RANDIC, M .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (23) :6609-6615

[9] UNIQUE NUMBERING OF ATOMS AND UNIQUE CODES FOR MOLECULAR GRAPHS [J].

RANDIC, M .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1975, 15 (02) :105-108

[10]

RANDIC M, 1979, CHEM PHYS LETT, P63

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