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Browsing Química Física by Author "Tomasi, J."
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Article
Extending the polarizable continuum model to effective ab initio pair potentials in multicomponent solutions: A test on calcium-water and calcium-ammonia potentials
Floris, F. M.; Martínez Fernández, José Manuel; Tomasi, J. (American Institute of Physics, 2002)Development of ab initio effective pair potential using the polarizable continuum model was extended to multicomponent ...
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Article
Preferential solvation of Ca2+ in aqueous solutions containing ammonia: A molecular dynamics study
Floris, F. M.; Martínez Fernández, José Manuel; Tomasi, J. (American Institute of Physics, 2002)Molecular dynamics simulations by means of the effective interaction potentials were used to study Ca2+ aqueous solutions ...