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.
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页码：784 / 788
页数：5
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