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On electronegativity and chemical hardness relationships with aromaticity
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Journal Article
On electronegativity and chemical hardness relationships with aromaticity
2010
Overview
Quantitative structure aromaticity relationship studies on various aromatic, non-aromatic and anti-aromatic molecules are presented aiming for checking the predictor quality of finite-difference electronegativity and chemical hardness descriptors in aromaticity computations. The results show that the “aromaticity of peripheral topological path” may be well described by superior finite difference schemes of electronegativity and chemical hardness indices in certain calibrating conditions.
Publisher
Springer Nature B.V
Subject
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