Electronic properties of non-alternant polycyclic conjugated hydrocarbons are investigated by using the perturbation theory for degenerate systems on the basis of NBMOs of alternants. The HOMO and the LUMO energy levels are represented as a function of the size of the odd membered-ring included in the non-alternant polycyclic hydrocarbon.
All Science Journal Classification (ASJC) codes
- Drug Discovery
- Organic Chemistry