Absolute hardness and aromaticity: MNDO study of benzenoid hydrocarbons

199040 citationsJournal Article

Authors

Zhongxiang Zhou · University of North Carolina at Chapel Hill

Himanshoo V. Navangul · North Carolina Wesleyan College

Abstract

Abstract 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.

Topics & Keywords

Synthesis and Properties of Aromatic Compounds Machine Learning in Materials Science Thermal and Kinetic Analysis

Publication Details

Published in: Journal of Physical Organic Chemistry

Volume 3, Issue 12, pp. 784-788

DOI: 10.1002/poc.610031203

Field-Weighted Citation Impact: 0.94

Command Palette

Absolute hardness and aromaticity: MNDO study of benzenoid hydrocarbons

Authors

Abstract

Topics & Keywords

Publication Details