Chemical Physics Letters, Vol.337, No.1-3, 131-137, 2001
Hexagonal chains with maximal total pi-electron energy
In the preceding Letter we determined the hexagonal chain (benzenoid hydrocarbon) with minimal total pi -electron energy. Further to that work, in this Letter the following result is obtained: in the set of all hexagonal chains with n hexagons, the zig-zag chain (zig-zag polyacene) has the maximal energy.