DIFFICULTIES WITH TOPOLOGICAL RESONANCE ENERGY

被引：22

作者：

GUTMAN, I

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1979年 / 66卷 / 03期

关键词：

D O I：

10.1016/0009-2614(79)80348-6

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：

Some difficulties with topological resonance energy (TRE) are indicated. A strict application of the TRE concept pre-diets cyclobutasdiene to be significantly more aromatic than benzene. The reasons for such an obscure result are analysed. Some algebraic properties of a new graphic polynomial are derived. © 1979.

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页码：595 / 597

页数：3

相关论文

共 15 条

[1] GENERAL RULES FOR CONSTRUCTING HUCKEL MOLECULAR-ORBITAL CHARACTERISTIC POLYNOMIALS [J].

AIHARA, J .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (22) :6840-6844

[2] NEW DEFINITION OF DEWAR-TYPE RESONANCE ENERGIES [J].

AIHARA, J .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (10) :2750-2758

[3] RESONANCE ENERGIES OF BENZENOID HYDROCARBONS [J].

AIHARA, JI .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (07) :2048-2053

[4]

Cvetkovic DM., 1979, SPECTRA GRAPHS

[5] CONSTRUCTION OF MOLECULAR-ORBITAL ENERGY-LEVEL DIAGRAMS BY METHOD OF PROGRESSIVE INTERACTIONS OF ATOMIC ORBITALS [J].

DIXON, WT .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1977, 73 :67-75

[6]

GODSIL CD, UNPUBLISHED

[7] GRAPH THEORY AND MOLECULAR-ORBITALS - APPLICATION OF SACHS THEOREM [J].

GRAOVAC, A ;

GUTMAN, I ;

TRINAJST.N ;

ZIVKOVIC, T .

THEORETICA CHIMICA ACTA, 1972, 26 (01) :67-&

[8]

GRAOVAC A, 1975, Z NATURFORSCH A, V30, P1696

[9] EFFECT OF CYCLES ON TOTAL PI-ELECTRON ENERGY OF ALTERNANT CONJUGATED HYDROCARBONS [J].

GUTMAN, I .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1979, 75 :799-805

[10] APPLICATIONS OF CAUCHY INEQUALITIES IN SIMPLE MOLECULAR-ORBITAL THEORY [J].

GUTMAN, I ;

TRINAJSTIC, N .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1977, 73 :435-437