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. Author manuscript; available in PMC: 2008 Jun 30.

Published in final edited form as: J Phys Chem B. 2005 Jun 16;109(23):11461–11467. doi: 10.1021/jp050420g

Inverse of the lowest transition energies ΔE_|| and ΔE_⊥ (see text) as a function of tube length computed at the B3LYP/6-31G* level of theory. The inverse of the HOMO/LUMO gap, E_g, is shown for comparison. $E_{g}^{- 1}$ is scaled by 0.5 to fit into the figure. Transition energies and the HOMO/LUMO gap are shown in the inset.