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

Table 3. ΔE0+1 Values Determined from the Observed Spectral Splittings and from Meyer’s Flexible Model for the Phe–HDO Complex.

ΔE0+1 (MHz) experimental
Phe–HDO 0.2464(27)
ΔE0+1 (MHz) flexible model
H-bonded 0.16
D-bonded 0.27