Resonance energies via direct interaction method

被引：13

作者：

Helal, MR ^{[1
]}

机构：

[1] Yarmouk Univ, Dept Chem, Irbid, Jordan

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2000年 / 528卷

关键词：

resonance energy; direct interaction; aromatic;

D O I：

10.1016/S0166-1280(99)00500-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：

The resonance energies have been calculated for aromatic compounds via the direct-interaction method. In this method, it is assumed that the resonance energy of a compound is the sum of the direct-interaction energies resulting from the direct interactions between the directly bonded functional groups present in the compound. The results obtained correlate well with the available experimental data. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：255 / 261

页数：7

共 16 条

[1]

[Anonymous], 1955, RESONANCE ORGANIC CH

[2] MICROWAVE SPECTRUM AND MOLECULAR STRUCTURE OF TRANS-ACROLEIN [J].