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1,4-didecapentaene-substituted cyclacenes - AM1 treatment

2002-07-05
Türker, Burhan Lemi
Austin model I 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.