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Predicted ΔGrxn for [Ln(OH)]2+ calculated with method A (top) and method B (bottom) and target method [CCSD(T)-FSII/cc-pwCV∞Z-DK3]. The contribution from each term in method A and method B formulation [Eref, Eref + ΔECC, Eref + ΔECC + ΔECV for method A; and Eref, Eref + ΔEcV for method B) are calculated as indicated in eqs 5 and 6. Method A is defined with Eref[MP2], ΔECC[CCSD(T)], and ΔECV[CCSD(T)], and method B with Eref[CCSD(T)] and ΔECV[CCSD(T)]. (Note Yb is in a Yb III state).
