Table 2. Ionization potential (IP) determined in gas phase at ω97XD66/6-31g** (ref. 42 and 43) level for FAD and the different side chains considered in position 391.
FAD | Tyr | Trp | Phe | |
IP/eV | 8.05 | 8.15 | 7.54 | 8.84 |
FAD | Tyr | Trp | Phe | |
IP/eV | 8.05 | 8.15 | 7.54 | 8.84 |