Quantifying aromaticity according to the energetic criterion

Mercedes Alonso Giner, Israel Fernández

Onderzoeksoutput: Chapter


This chapter describes the most widely used methods to assess aromaticity according to the so-called energetic criterion. By means of representative examples, we critically review the different approaches, highlighting their main shortcomings to show the applicability and reliability of each energetic-based method. In addition, we summarize a number of applications of energetic-based indices to challenging systems and discuss the relationship between energetic and aromaticity indices rooted in the magnetic, electronic and reactivity criteria.
Originele taal-2English
TitelAromaticity: Modern Computational Methods and Applications
RedacteurenIsrael Fernández
Aantal pagina's30
ISBN van geprinte versie9780128227237
StatusAccepted/In press - 2020

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