Table 2 The energies of the HOMO (E_H), and LUMO (E_L) with reference to vacuum, water and acetonitrile of Ber⁺ cation and EDOT in selected media calculated using the B3LYP functional and 6-31G(d) basis set together with respective energy gaps, E_g.

From: Computational analysis and experimental verification of donor–acceptor behaviour of berberine, and its co-oligomers and co-polymers with ethylenedıoxythıophene