Article
Preferential solvation of Ca2+ in aqueous solutions containing ammonia: A molecular dynamics study
Author/s | Floris, F. M.
Martínez Fernández, José Manuel ![]() ![]() ![]() ![]() ![]() ![]() ![]() Tomasi, J. |
Department | Universidad de Sevilla. Departamento de Química Física |
Publication Date | 2002 |
Deposit Date | 2022-07-21 |
Published in |
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Abstract | Molecular dynamics simulations by means of the effective interaction potentials were used to study Ca2+ aqueous solutions containing different proportions of ammonia. Structural tendencies were provided by the use of these ... Molecular dynamics simulations by means of the effective interaction potentials were used to study Ca2+ aqueous solutions containing different proportions of ammonia. Structural tendencies were provided by the use of these potentials in cluster computations that were confirmed by the subsequent simulations. The results showed a preferential solvation for ammonia, even at very low concentration. |
Citation | Floris, F.M., Martínez Fernández, J.M. y Tomasi, J. (2002). Preferential solvation of Ca2+ in aqueous solutions containing ammonia: A molecular dynamics study. Journal of Chemical Physics, 116 (13), 5460-5470. |
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