67 citations · 324 across the 24 of their papers we have counts for
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physics.chem-ph2012★ 67 cited
A transferable ab-initio based force field for aqueous ions
Sami Tazi, John J. Molina, Benjamin Rotenberg +3
We present a new polarizable force field for aqueous ions (Li+, Na+, K+, Rb+, Cs+, Mg2+, Ca2+, Sr2+ and Cl-) derived from condensed phase ab-initio calculations. We use Maximally L…
physics.chem-ph2010★ 32 cited
Models of electrolyte solutions from molecular descriptions: The example of NaCl solutions
J. J. Molina, J. -F. Dufreche, M. Salanne +3
We present a method to derive implicit solvent models of electrolyte solutions from all-atom descriptions; providing analytical expressions of the thermodynamic and structural prop…