Enumeration of conjugated circuits in nanotubes.
The resonance energy of (1,1)n "armchair" carbon nanotubes and (n,n)1 nanoribbons was determined by enumerating the conjugated circuits (CC) and the Kekulé structures. The lower indices denote the number of hexagon layers. It was found that the resonance energy per carbon atom is equal to 0.160 eV in (1,1)n tubes and 0.142 eV in (n,n)1 tubes.
Lukovits
István
I
Chemical Research Center, H-1525 Budapest, P.O.B. 17, Hungary. lukovits@chemres.hu
Janezic
Dusanka
D