Molecules | Gas phase | Water | ||||||||
HOMO- LUMO gap | χ (eV) | η (eV) | s | ω (eV) | HOMO-LUMO gap | χ (eV) | Η (eV) | s | ω (eV) | |
20 | 6.855 | 3.427 | 4.021 | 0.124 | 1.46 | 4.872 | 3.414 | 2.436 | 0.205 | 2.393 |