Hydration shell structure of the calcium
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Franca Maria Floris; Maurizio Persico; Alessandro Tani; Jacopo Tomasi
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Article
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1994
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Elsevier Science
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English
β 562 KB
Computer simulations of dilute aqueous solutions of Ca\*+ have been performed with a strictly two-body ab initio ion-water potential and an effective ab initio pair potential. The latter includes many-body effects in an average way relying on a continuum polarixable model for the solvent. With the t