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. 2017 Dec 11;9(5):1259–1272. doi: 10.1039/c7sc03386a

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