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. 2019 Jan 16;4(1):1375–1385. doi: 10.1021/acsomega.8b02403

Figure 3.

Figure 3

Predicted ΔGrxn for [Ln(NO3)]2+ calculated with composite method A (eq 5) and method B (eq 6), along with the target method [CCSD(T)-FSII/cc-pwCV∞Z-DK3].