Thursday, August 22, 2019

theoretical chemistry - What are modern approaches to describe and/or quantify aromaticity?


I know that Schleyer described an approach for evaluating aromaticity using nucleus-independent chemical shifts (NICS, see e.g. Chem. Rev. 2005, 105 (10), 3842–3888) quite some time back. I also somehow have the feeling that there should be a more direct way to describe aromaticity than via chemical shifts.


What are modern approaches to describe/quantify aromaticity? Could anyone point out some links/references on recent developments in the field?




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