molecules

EHOMO

(eV)

ELUMO

(eV)

E

(eV)

η

(eV)

μ

(eV)

ω

(eV)

Catechin

−6.054

−0.614

5.440

2.720

−3.334

2.0433

Epicatechin

−6.008

−0.661

5.347

2.674

−3.335

2.0791