Inhibitors

E_HOMO

/eV

E_LUMO

/eV

E

/ev

χ

/eV

η

eV

N

BOP

–6.33

–1.87

4.46

4.10

2.23

3.23

BOPO

–6.52

–2.16

4.37

4.34

2.18

2.90

QBO

–6.51

–2.40

4.11

4.46

2.05

2.61