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

Figure 1.

Figure 1

Predicted Gibbs free energies of reaction (ΔGrxn) for the [Ln(NO3)]2+ complexes calculated with CCSD(T)-FSI/cc-pVTZ-DK3, MP2-FSI/cc-pVTZ-DK3, CCSD(T)-FSII/cc-pwCVTZ-DK3, MP2-FSI/cc-pV∞Z-DK3, CCSD(T)-FSI/cc-pV∞Z-DK3, and CCSD(T)-FSII/cc-pwCV∞Z-DK3.