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Monte Carlo simulations of small ion-pair hydrate clusters: hydrated lithium nitrite (NO2-:Li+(H2O)n)

โœ Scribed by Banerjee, Ajit; Quigley, Alice; Frey, Regina F.; Johnson, Dana; Simons, Jack


Book ID
118262963
Publisher
American Chemical Society
Year
1987
Tongue
English
Weight
684 KB
Volume
109
Category
Article
ISSN
0002-7863

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The dissolving mechanism of ion pairs in water was analyzed by means of radial distribution functions and the pair energies obtained from Monte Carlo simulations for M + CI-(H20). (M = Li, Na ) (n = 1-8 ) at room temperature. The minimum-energy geometries of these clusters for n >i 3 are water-share