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A method of evaluating the effective pair potential from the static structure factor data

✍ Scribed by R.V. Gopala Rao; R.N. Joarder

Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
142 KB
Volume
67
Category
Article
ISSN
0375-9601

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Hydration shell structure of the calcium
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✍ Franca Maria Floris; Maurizio Persico; Alessandro Tani; Jacopo Tomasi πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 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