458 citations · 3.1k across the 31 of their papers we have counts for
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A force field of Li , Na , K, Mg, Ca, Cl, and SO in aqueous solution based on the TIP4P/2005 water model and scaled charges for the ions
I. M. Zeron, J. L. F. Abascal, C. Vega
In this work, a force field for several ions in water is proposed. In particular, we consider the cations Li , Na , K, Mg, Ca and the anions Cl, and S…
In Silico Seawater
I. M. Zeron, M. A. Gonzalez, E. Errani +2
Many important processes affecting the Earth's climate are determined by the physical properties of seawater. Desalination of seawater is a significant source of drinking wate.Sinc…
Computation of Electrical Conductivities of Aqueous Electrolyte Solutions: Two Surfaces , One Property
S. Blazquez, J. L. F. Abascal, J. Lagerweij +5
In this work, we have computed electrical conductivities at ambient conditions of aqueous NaCl and KCl solutions by using the Einstein-Helfand equation. Common force fields (charge…
Anomalous Behavior in the Nucleation of Ice at Negative Pressures
Valentino Bianco, Pablo Montero de Hijes, Cintia P. Lamas +2
Ice nucleation is a phenomenon that, despite the relevant implications for life, atmospheric sciences, and technological applications, is far from being completely understood, espe…