@article{oai:uec.repo.nii.ac.jp:00008997,
 author = {Akaishi, Akira and Ushirozako, Makoto and Matsuyama, Haruyuki and Nakamura, Jun},
 issue = {1},
 journal = {Japanese Journal of Applied Physics},
 month = {Jan},
 note = {We have quantitatively investigated the relationship between the aromaticity and structural stability of graphene nanoflakes (GNFs) using first-principles calculations. The aromaticity of each six-membered ring of GNFs is evaluated with the nucleus-independent chemical shifts (NICS). We have found that for armchair-edge GNFs, the degree of stability, that is, the edge formation energy, is proportional to the average NICS for all six-membered rings. Even for nitrogen- and boron-doped GNFs, the average NICS strongly correlates with the doping formation energy. Our results indicate that NICS is a good measure not only for the aromaticity but also for the structural stability of pristine/doped nanographene systems.},
 title = {Structural stability and aromaticity of pristine and doped graphene nanoflakes},
 volume = {57},
 year = {2018}
}