Quantifying the hydration structure of sodium and potassium ions: taking additional steps on Jacob's Ladder

Journal Article
Physical Chemistry Chemical Physics, vol. 22, iss. 19, pp. 10641-10652, 2020
Authors
Timothy T. Duignan, Gregory K. Schenter, John L. Fulton, Thomas Huthwelker, Mahalingam Balasubramanian, Mirza Galib, Marcel D. Baer, Jan Wilhelm, Jürg Hutter, Mauro Del Ben, X. S. Zhao, Christopher J. Mundy
Abstract

The ability to reproduce the experimental structure of water around the sodium and potassium ions is a key test of the quality of interaction potentials due to the central importance of these ions in a wide range of important phenomena.

English