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.
|Titel||Aromaticity: Modern Computational Methods and Applications|
|ISBN van geprinte versie||9780128227237|
|Status||Accepted/In press - 2020|