Molecular dynamics study on ionic hydration

The missing term in effective pair potentials

Herman J. C. Berendsen, J. Raúl Grigera, Tjerk P. Straatsma · The Journal of Physical Chemistry · 1987 · 13.1K citations

Engineering, Chemical Analysis, Altmetric Attention Score +18

A molecular dynamics method for simulations in the canonical ensemble

Shūichi Nosé · Molecular Physics · 1984 · 9.9K citations

Total Energy, Engineering, Canonical Distribution +16

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 · 1.3K citations

Hydration and mobility of ions in solution

Roger Impey, P. A. Madden, Ian R. McDonald · The Journal of Physical Chemistry · 1983 · 964 citations

Engineering, Chemical Analysis, Altmetric Attention Score +17

Solvent Structure, Dynamics, and Ion Mobility in Aqueous Solutions at 25 °C

S. Koneshan, Jayendran C. Rasaiah, R. M. Lynden‐Bell et al. · The Journal of Physical Chemistry B · 1998 · 939 citations

Solvation Entropy, Engineering, Computational Chemistry +21