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. 2022 Nov 3;7(45):41783–41788. doi: 10.1021/acsomega.2c06151

Table 2. Hyperfine Couplings (MHz) Used for Horseradish EDNMR Spectral Simulations Presented in Figure 3.

W-band (94 GHz) hyperfine values (MHz) used in simulations
hyperfine matrix Mn1 Mn2 Mn3 Mn4 1H
[A11, A22, A33]—this work (open cubane) [−104, −104, −97.5] [−96.5, −96.5, −91.3] –2.4 –7.2 1
[A11, A22, A33]—Chrysina et al.17 (closed cubane) [−104, −104, −97.5] [−97, −102.5, −97] [−96.5, −96.5, −91.3] [28, 32, 127] 1