GRAPH THEORETICAL BASIS FOR ORDERING OF STRUCTURES

被引：82

作者：

RANDIC, M

WILKINS, CL

机构：

[1] Department of Chemistry, University of Nebraska-Lincoln, Lincoln

来源：

CHEMICAL PHYSICS LETTERS | 1979年 / 63卷 / 02期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/0009-2614(79)87030-X

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Algebraic aspects of ordering of structures are examined. By using paths as the graph theoretical invariants, sequences which enumerate paths of differnet length and characterize individual molecules are derived. A rule for ordering such sequences is proposed. The partial ordering thus derived can be used for prediction of the relative magnitudes of various molecular properties of isomers. © 1979.

引用

页码：332 / 336

页数：5

共 21 条

[1] ZUR BERECHNUNG DES RADIUS VERZWEIGTER MOLEKULE
ALTENBURG, K
[J]. KOLLOID-ZEITSCHRIFT AND ZEITSCHRIFT FUR POLYMERE, 1961, 178 (02): : 112 - &
[2] Beckenbach E. F., 1961, INEQUALITIES
[3] INFORMATION-THEORY, DISTANCE MATRIX, AND MOLECULAR BRANCHING
BONCHEV, D
TRINAJSTIC, N
[J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (10) : 4517 - 4533
[4] Coulson CA, 1939, PROC R SOC LON SER-A, V169, P0413, DOI 10.1098/rspa.1939.0006
[5] CARBON-13 MAGNETIC RESONANCE .2. CHEMICAL SHIFT DATA FOR ALKANES
GRANT, DM
PAUL, EG
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1964, 86 (15) : 2984 - +
[6] Harary F., 1969, GRAPH THEORY, DOI DOI 10.21236/AD0705364
[7] HARDY GH, 1934, INEQUALITIES, P44
[8] TOPOLOGICAL INDEX - NEWLY PROPOSED QUANTITY CHARACTERIZING TOPOLOGICCAL NATURE OF STRUCTURAL ISOMERS OF SATURATED HYDROCARBONS
HOSOYA, H
[J]. BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1971, 44 (09) : 2332 - +
[9] Kier L.B., 1976, MOL CONNECTIVITY CHE
[10] MOLECULAR CONNECTIVITY .5. CONNECTIVITY SERIES CONCEPT APPLIED TO DENSITY
KIER, LB
MURRAY, WJ
RANDIC, M
HALL, LH
[J]. JOURNAL OF PHARMACEUTICAL SCIENCES, 1976, 65 (08) : 1226 - 1230

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