ABSOLUTE HARDNESS AND AROMATICITY - MNDO STUDY OF BENZENOID HYDROCARBONS

被引：40
|
作者：
ZHOU, ZX [1 ]
NAVANGUL, HV [1 ]
机构：
[1] N CAROLINA WESLEYAN COLL,DEPT CHEM & PHYS SCI,ROCKY MT,NC 27804
来源：
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY | 1990年 / 3卷 / 12期
关键词：
D O I：
10.1002/poc.610031203
中图分类号：
O62 [有机化学];
学科分类号：
070303 ; 081704 ;
摘要：
Absolute hardness calculated by the MNDO method has been shown to be a good measure of aromaticity for 14 benzenoid hydrocarbons. Comparisons among hardnesses at different levels of approximation are given. The parallelism of the aromaticity and hardness concepts in benzenoids is elaborated.
引用
收藏
页码：784 / 788
页数：5
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