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Difference between ΔGrxn calculated with method A and method B w.r.t. the target method [CCSD(T)-FSII/cc-pwCV∞Z-DK3] evaluated for all compounds tested in the comparison study (i.e., Ln(NO3)]2+ and Ln(OH)]2+ (with Ln = La, Ce, Eu, Gd, Tb, Dy, Tm, Yb, and Lu)). Results shown are in kcal mol–1.
