Parameters

Inhibitors

HL1

HL2

HL3

HL4

HL5

E_HOMO (eV)

−6.180

−6.336

−6.013

−6.023

−6.207

E_LUMO (eV)

−1.736

−2.762

−1.644

−1.655

−1.769

∆E (eV)

4.444

3.574

4.369

4.368

4.438