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. 2023 Jul 26;145(31):17201–17210. doi: 10.1021/jacs.3c04281

Table 2. ΔE0+1+ Values in Megahertz Determined from the Observed Spectral Splitting and from Meyer’s Flexible Model for the Phe–H2O, Phe–H218O, and Phe–D2O Complexes.

ΔE0+1+ (MHz) experimental flexible model
H2O 14.0634(77) 14.04
H218O 7.4209(65) 7.78
D2O 5.0676(66) 7.69