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Computer simulation of the structure of the hydration shells of calcium and calcium-water-zeolite a

✍ Scribed by G. G. Malenkov; M. M. Frank-Kamenetskii

Book ID
110563778
Publisher
SP MAIK Nauka/Interperiodica
Year
1996
Tongue
English
Weight
520 KB
Volume
37
Category
Article
ISSN
0022-4766

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πŸ“œ SIMILAR VOLUMES

Hydration shell structure of the calcium
Hydration shell structure of the calcium ion from simulations with ab initio effective pair potentials
✍ 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