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. 2021 May 3;60(10):7399–7412. doi: 10.1021/acs.inorgchem.1c00640

Figure 10.

Figure 10

Scaling of the calculated DLPNO-CCSD HFCs for 33S at a field of 3048 mT (top) and 3302 mT (bottom) compared to the experiment27 (black lines). The sum of the nitrogen spectra (dashed lines) is given as a guide. Microwave frequency: ν = 94.9 GHz.