Abstract
Abstract Quantum chemical calculation has been made for the sizes of the hydration shells of the metal ions as well as for the binding energies of water molecules in the hydration shells. The results of the both calculations give the basis of the size of the molecular space. Although the experimental value of the molecular space, (20±5A)3, does not exactly agree with the calculated value, we assume that the quantum chemically obtained hydration sphere refers to the molecular space.
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