Concepedia

Ion association in aqueous solution

Marielle Soniat, Grayson Pool, Lisette Franklin, Steven W. Rick

Fluid Phase Equilibria · 2015 · 47 citations · 58 references

DOI

Concepts

References

58

Computer Simulation of Liquids

S. P, K. J · Journal of Molecular Liquids · 1988 · 15.9K citations

, , +12

A grid-based Bader analysis algorithm without lattice bias

Wenjie Tang, Edward Sanville, Graeme Henkelman · Journal of Physics Condensed Matter · 2009 · 7.5K citations

, , +12

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

Marat Valiev, Eric J. Bylaska, Niranjan Govind et al. · Computer Physics Communications · 2010 · 5.8K citations

, , +12

Atoms in molecules

R. F. W. Bader · Accounts of Chemical Research · 1985 · 3.7K citations

, , +17

Thermodynamics of solvation of ions. Part 5.—Gibbs free energy of hydration at 298.15 K

Yizhak Marcus · Journal of the Chemical Society Faraday Transactions · 1991 · 2.1K citations

, , +17