Monte Carlo simulations of M+Clโ (H2O)n
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T. Asada; K. Nishimoto
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Article
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1995
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Elsevier Science
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English
โ 390 KB
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