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Mean distance of closest approach of potassium, cesium and rubidium ions in aqueous solutions: Experimental and theoretical calculations

✍ Scribed by Ana C.F. Ribeiro; Victor M.M. Lobo; Hugh D. Burrows; Artur J.M. Valente; Abílio J.F.N. Sobral; Ana M. Amado; Cecília I.A.V. Santos; Miguel A. Esteso


Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
172 KB
Volume
146
Category
Article
ISSN
0167-7322

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Full geometry optimixations have been carried out on molecular models of [M(H20)6]n+, [M(H20)~..H20]"+ and [M(H,O),...Cl] ("-'r\* (M=K and MB, n= 1 for K and 2 for Mg) using the density functional methods. The optimized geometries of [K(H20)6]+ and [Mg(HzO)s]2+ were a regular octahedron. In the opti