Concepedia

Ion association and liquid structure in supercritical water solutions of sodium chloride: a microscopic view from molecular dynamics simulations

S. T. Cui, Jonathan G. Harris

Chemical Engineering Science · 1994 · 78 citations · 43 references

DOI

Concepts

References

43

Comparison of simple potential functions for simulating liquid water

William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura et al. · The Journal of Chemical Physics · 1983 · 42.1K citations

, , +17

The missing term in effective pair potentials

Herman J. C. Berendsen, J. Raúl Grigera, Tjerk P. Straatsma · The Journal of Physical Chemistry · 1987 · 13.4K citations

, , +9

Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations

Hans Christian Andersen · Journal of Computational Physics · 1983 · 3.1K citations

, , +12

Simulation of electrostatic systems in periodic boundary conditions. I. Lattice sums and dielectric constants

Simon W. de Leeuw, John W. Perram, E.R. Smith · Proceedings of the Royal Society of London A Mathematical and Physical Sciences · 1980 · 1.4K citations

, , +14

Ion product of water substance, 0–1000 °C, 1–10,000 bars New International Formulation and its background

William L. Marshall, E. U. Franck · Journal of Physical and Chemical Reference Data · 1981 · 1.1K citations · Full text

, , +13