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The redox chemistry of transition aqua cations remains a challenge for computation.The high positive ionic charge leads to strong coupling of the oxidation state to the protonation state of coordinated water molecules as is evident from the wide range of oxyhydroxo forms of these ions.Also the low valent late transition metal ions, even when closed shell (d10), are special because of the flexibility of the shell of d-electrons allowing for a variety of thermally accessible coordinations.