| Analytical representation of the Percus-Yevick hard-sphere radial distribution function WR Smith, D Henderson Molecular Physics 19 (3), 411-415, 1970 | 330 | 1970 |
| The reaction ensemble method for the computer simulation of chemical and phase equilibria. I. Theory and basic examples WR Smith, B Triska The Journal of chemical physics 100 (4), 3019-3027, 1994 | 290 | 1994 |
| Canada's program on nuclear hydrogen production and the thermochemical Cu-Cl cycle GF Naterer, S Suppiah, L Stolberg, M Lewis, Z Wang, V Daggupati, ... International Journal of Hydrogen Energy 35 (20), 10905-10926, 2010 | 195 | 2010 |
| Extremal arrangements of points and unit charges on a sphere: equilibrium configurations revisited TW Melnyk, O Knop, WR Smith Canadian Journal of Chemistry 55 (10), 1745-1761, 1977 | 158 | 1977 |
| Application of the hypernetted chain approximation to the electric double layer at a charged planar interface D Henderson, L Blum, WR Smith Chemical Physics Letters 63 (2), 381-383, 1979 | 153 | 1979 |
| 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 | 146 | 2016 |
| Simulation of chemical reaction equilibria by the reaction ensemble Monte Carlo method: a review† C Heath Turner, JK Brennan, M Lisal, WR Smith, J Karl Johnson, ... Molecular Simulation 34 (2), 119-146, 2008 | 145 | 2008 |
| A simple model for associated fluids WR Smith, I Nezbeda The Journal of chemical physics 81 (8), 3694-3699, 1984 | 136 | 1984 |
| Hypothalamic regulation of pituitary secretion of luteinizing hormone—II Feedback control of gonadotropin secretion WR Smith Bulletin of Mathematical Biology 42 (1), 57-78, 1980 | 125 | 1980 |
| Monte Carlo calculations of the equation of state of the square‐well fluid as a function of well width D Henderson, OH Scalise, WR Smith The Journal of Chemical Physics 72 (4), 2431-2438, 1980 | 125 | 1980 |
| Clean hydrogen production with the Cu-Cl cycle-Progress of international consortium, I: Experimental unit operations GF Naterer, S Suppiah, L Stolberg, M Lewis, M Ferrandon, Z Wang, ... International Journal of Hydrogen Energy, 2011 | 119 | 2011 |
| Perturbation Theory and the Radial Distribution Function of the Square‐Well Fluid WR Smith, D Henderson, JA Barker The Journal of Chemical Physics 55, 4027, 1971 | 118 | 1971 |
| Approximate Evaluation of the Second‐Order Term in the Perturbation Theory of Fluids WR Smith, D Henderson, JA Barker The Journal of Chemical Physics 53, 508, 1970 | 118 | 1970 |
| Molecular Simulation of Aqueous Electrolyte Solubility. 2. Osmotic Ensemble Monte Carlo Methodology for Free Energy and Solubility Calculations and Application to NaCl F Moučka, M Lísal, J Škvor, J Jirsák, I Nezbeda, WR Smith The Journal of Physical Chemistry B 115 (24), 7849-7861, 2011 | 116 | 2011 |
| Analysis of binding in macromolecular complexes: a generalized numerical approach CA Royer, WR Smith, JM Beechem Analytical biochemistry 191 (2), 287-294, 1990 | 115 | 1990 |
| An overview of computational methods for chemical equilibrium and kinetic calculations for geochemical and reactive transport modeling AMM Leal, DA Kulik, WR Smith, MO Saar Pure and Applied Chemistry 89 (5), 597-643, 2017 | 110 | 2017 |
| The computation of chemical equilibria in complex systems WR Smith Industrial & Engineering Chemistry Fundamentals 19 (1), 1-10, 1980 | 110 | 1980 |
| Pair and triplet interactions in argon JA Barker, D Henderson, WR Smith Molecular Physics 17 (6), 579-592, 1969 | 107 | 1969 |
| 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), 154102, 2013 | 104 | 2013 |
| 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 | 102 | 2001 |
Ivo Nezbedaacademy of sciences, pragueVerified email at icpf.cas.cz
