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. 2016 Oct 4;16(11):6479–6493. doi: 10.1021/acs.cgd.6b01157

Figure 13.

Figure 13

Comparison of experimental17 and predicted 13C chemical shifts in the low-frequency region for α-testosterone using either (a) two-body fragment PBE0 or (b) GIPAW PBE. Shifts from molecule u and v are indicated in red or blue, respectively.