@article{Popov2012, 
author = {Ivan A. Popov and Konstantin V. Bozhenko and Alexander I. Boldyrev},
title = {Is Graphene Aromatic?},
year = {2012},
journal = {Nano Research},
volume = {5},
number = {2},
pages = {117-123},
keywords = {Graphene, chemical bonding, aromaticity, adaptive natural density partitioning (AdNDP), electronic aromaticity indices, multicenter indice (MCI)},
url = {https://www.sciopen.com/article/10.1007/s12274-011-0192-z},
doi = {10.1007/s12274-011-0192-z},
abstract = {We analyze the chemical bonding in graphene using a fragmental approach, the adaptive natural density partitioning method, electron sharing indices, and nucleus-independent chemical shift indices. We prove that graphene is aromatic, but its aromaticity is different from the aromaticity in benzene, coronene, or circumcoronene. Aromaticity in graphene is local with two π-electrons delocalized over every hexagon ring. We believe that the chemical bonding picture developed for graphene will be helpful for understanding chemical bonding in defects such as point defects, single-, double-, and multiple vacancies, carbon adatoms, foreign adatoms, substitutional impurities, and new materials that are derivatives of graphene.}
}