PROCEDURES FOR OBTAINING GRAPH-THEORETICAL RESONANCE ENERGIES

被引：23

作者：

HERNDON, WC

ELLZEY, ML

机构：

[1] Department of Chemistry, University of Texas at El Paso, El Paso

来源：

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1979年 / 19卷 / 04期

关键词：

D O I：

10.1021/ci60020a601

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A graph-theoretical method for obtaining a characteristic polynomial of a secular matrix is reformulated, and a definition of graph-theoretical resonance energy is reviewed. Several procedures for simplifying the obtaining of these resonance energies are outlined. © 1979, American Chemical Society. All rights reserved.

引用

页码：260 / 264

页数：5

共 48 条

[1] GENERAL RULES FOR CONSTRUCTING HUCKEL MOLECULAR-ORBITAL CHARACTERISTIC POLYNOMIALS
AIHARA, J
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (22) : 6840 - 6844
[2] NEW DEFINITION OF DEWAR-TYPE RESONANCE ENERGIES
AIHARA, J
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (10) : 2750 - 2758
[3] RESONANCE ENERGIES OF BENZENOID HYDROCARBONS
AIHARA, JI
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (07) : 2048 - 2053
[4] [Anonymous], 1975, MATCH COMMUN MATH CO
[5] CHARACTERISTIC POLYNOMIAL DOES NOT UNIQUELY DETERMINE TOPOLOGY OF A MOLECULE
BALABAN, AT
HARARY, F
[J]. JOURNAL OF CHEMICAL DOCUMENTATION, 1971, 11 (04): : 258 - &
[6] GROUND STATES OF CONJUGATED MOLECULES .2. ALLOWANCE FOR MOLECULAR GEOMETRY
DEWAR, MJS
GLEICHER, GJ
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1965, 87 (04) : 685 - &
[7] GROUND STATES OF CONJUGATED MOLECULES .11. IMPROVED TREATMENT OF HYDROCARBONS
DEWAR, MJS
DELLANO, C
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (04) : 789 - &
[8] GRAPH THEORY AND MOLECULAR-ORBITALS - APPLICATION OF SACHS THEOREM
GRAOVAC, A
GUTMAN, I
TRINAJST.N
ZIVKOVIC, T
[J]. THEORETICA CHIMICA ACTA, 1972, 26 (01): : 67 - &
[9] GRAOVAC A, 1975, Z NATURFORSCH A, V30, P1696
[10] GRAOVAC A, 1977, LECT NOTES CHEM, V4, P1

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