Simulation study of the role and structure of monatomic ions multiple hydration shells

Degreve, Leo; de Pauli, Vania Maria
January 1997
Journal of Chemical Physics;1/8/1997, Vol. 106 Issue 2, p655
Academic Journal
Focuses on the hydration structures of five monatomic cations and two monatomic anions by Monte Carlo NpT simulations conducted on infinite dilute aqueous electrolyte solutions. Definition of the complete first and second hydration shells; Method of maintenance of both complete hydration shells.


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