| P-V-T behaviour of hard body fluids. Theory and experiment T Boublík, I Nezbeda Collection of Czechoslovak chemical communications 51 (11), 2301-2432, 1986 | 409 | 1986 |
| The Lennard-Jones fluid: an accurate analytic and theoretically-based equation of state J Kolafa, I Nezbeda Fluid Phase Equilibria 100, 1-34, 1994 | 382 | 1994 |
| Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice C Vega, JLF Abascal, I Nezbeda The Journal of chemical physics 125 (3), 2006 | 306 | 2006 |
| Monte Carlo simulations on primitive models of water and methanol J Kolafa, I Nezbeda Molecular Physics 61 (1), 161-175, 1987 | 202 | 1987 |
| Equation of state for hard dumbbells T Boublik, I Nezbeda Chemical Physics Letters 46 (2), 315-316, 1977 | 175 | 1977 |
| Primitive model of water: II. Theoretical results for the structure and thermodynamic properties I Nezbeda, J Kolafa, YV Kalyuzhnyi Molecular physics 68 (1), 143-160, 1989 | 172 | 1989 |
| A new version of the insertion particle method for determining the chemical potential by Monte Carlo simulation I Nezbeda, J Kolafa Molecular Simulation 5 (6), 391-403, 1991 | 149 | 1991 |
| Statistical thermodynamics of simple liquids and their mixtures T Boublík, I Nezbeda, K Hlavatý (No Title), 1980 | 143 | 1980 |
| A simple model for associated fluids WR Smith, I Nezbeda The Journal of chemical physics 81 (8), 3694-3699, 1984 | 133 | 1984 |
| Recent progress in molecular simulation of aqueous electrolytes: Force fields, chemical potentials and solubility I Nezbeda, F Moučka, WR Smith Molecular Physics 114 (11), 1665-1690, 2016 | 129 | 2016 |
| An examination of the five-site potential (TIP5P) for water M Lısal, J Kolafa, I Nezbeda The Journal of chemical physics 117 (19), 8892-8897, 2002 | 120 | 2002 |
| Molecular simulation of aqueous electrolyte solubility. 2. Osmotic ensemble Monte Carlo methodology for free energy and solubility calculations and application to NaCl F Moucka, M Lísal, J Skvor, J Jirsák, I Nezbeda, WR Smith The Journal of Physical Chemistry B 115 (24), 7849-7861, 2011 | 108 | 2011 |
| Hard-sphere radial distribution function again A Trokhymchuk, I Nezbeda, J Jirsák, D Henderson The Journal of chemical physics 123 (2), 2005 | 103* | 2005 |
| Virial expansion and an improved equation of state for the hard convex molecule system I Nezbeda Chemical Physics Letters 41 (1), 55-58, 1976 | 100 | 1976 |
| Accurate vapour–liquid equilibrium calculations for complex systems using the reaction Gibbs ensemble Monte Carlo simulation method M Lísal, WR Smith, I Nezbeda Fluid Phase Equilibria 181 (1-2), 127-146, 2001 | 99 | 2001 |
| Molecular force fields for aqueous electrolytes: SPC/E-compatible charged LJ sphere models and their limitations F Moučka, I Nezbeda, WR Smith The Journal of chemical physics 138 (15), 2013 | 95 | 2013 |
| Simple short-ranged models of water and their application. A review I Nezbeda Journal of molecular liquids 73, 317-336, 1997 | 94 | 1997 |
| Detection and Characterization of Structural Changes in the Hard-Disk Fluid<? format?> under Freezing and Melting Conditions F Moučka, I Nezbeda Physical review letters 94 (4), 040601, 2005 | 90 | 2005 |
| A family of primitive models of water: three-, four and five-site models I Nezbeda, J Slovak Molecular Physics 90 (3), 353-372, 1997 | 83 | 1997 |
| Statistical thermodynamics of interaction-site molecules: the theory of hard dumb-bells I Nezbeda Molecular Physics 33 (5), 1287-1299, 1977 | 83 | 1977 |
