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 |