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.
|Title of host publication||Aromaticity: Modern Computational Methods and Applications|
|Number of pages||30|
|Publication status||Accepted/In press - 2020|
- energetic criterion
- aromaticity descriptors
- macrocyclic aromaticity