Chemical Physics Letters, Vol.491, No.1-3, 20-22, 2010
Resonance structures might correspond to excited states in polycyclic conjugated systems
Resonance structures are presented for four small carbon nanotubes (CNTs) in the context of quantum chemical concepts. The results show that there might exist Kekule structures, which are apparent excited electronic states and may mislead a chemist as being contributed to the CNT ground state. (C) 2010 Elsevier B.V. All rights reserved.