1,4-Didecapentaene-substituted cyclacenes-AM1 treatment

摘要

Austin model 1 type semi-empirical calculations are performed to calculate various energies and to get some molecular orbital properties of the 1,4-didecapentaene-substituted cyclacenes having 3-8 benzenoid rings. The systems considered should be stable, endothermic and possibly have some non-linear properties.