ELECTRONIC-STRUCTURE CALCULATIONS; DENSITY-FUNCTIONAL THEORY; HYDRATION FREE-ENERGY; CONTINUUM DIELECTRIC THEORY; TRANSITION-METAL CATIONS; WATER CLUSTERS (H2O)(N); GIBBS FREE-ENERGY; AQUEOUS-SOLUTION; REDOX POTENTIALS; 1ST PRINCIPLES
JOURNAL OF PHYSICAL CHEMISTRY B, v.112, no.32, pp.9709 - 9719
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