Ivo Nezbeda - Publications

Affiliations: 
Charles University, Prague, Czechia 

205 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Kalyuzhnyi YV, Nezbeda I, Cummings PT. Integral equation theory for mixtures of spherical and patchy colloids. 2. Numerical results. Soft Matter. PMID 33662078 DOI: 10.1039/d0sm02284e  0.515
2020 Kalyuzhnyi YV, Nezbeda I, Cummings PT. Integral equation theory for a mixture of spherical and patchy colloids: analytical description. Soft Matter. PMID 32201867 DOI: 10.1039/C9Sm02309G  0.601
2020 Škvára J, Nezbeda I, Izák P. Molecular dynamics study of racemic mixtures. II. Temperature dependence of the separation of ibuprofen racemic mixture with β-cyclodextrin in methanol solvent Journal of Molecular Liquids. 302: 112575. DOI: 10.1016/J.Molliq.2020.112575  0.307
2019 Škvára J, Nezbeda I. Surface of aqueous solutions of alkali halides: layer by layer analysis Molecular Simulation. 45: 358-372. DOI: 10.1080/08927022.2018.1540871  0.322
2019 Nezbeda I, Moučka F. Thermodynamics of supersaturated steam: Towards an equation of state Fluid Phase Equilibria. 484: 114-121. DOI: 10.1016/J.Fluid.2018.11.028  0.399
2018 Škvára J, Škvor J, Nezbeda I. Evaluation of the contact angle from molecular simulations Molecular Simulation. 44: 190-199. DOI: 10.1080/08927022.2017.1359744  0.314
2018 Škvára J, Nezbeda I. Molecular dynamics study of racemic mixtures: Solutions of ibuprofen and β-cyclodextrin in methanol Journal of Molecular Liquids. 265: 791-796. DOI: 10.1016/J.Molliq.2018.07.020  0.307
2018 Škvára J, Moučka F, Nezbeda I. Structure of supercooled water: Polarizable BK3 model versus non-polarizable models Journal of Molecular Liquids. 261: 303-318. DOI: 10.1016/J.Molliq.2018.03.117  0.373
2018 Smith WR, Nezbeda I, Kolafa J, Moučka F. Recent progress in the molecular simulation of thermodynamic properties of aqueous electrolyte solutions Fluid Phase Equilibria. 466: 19-30. DOI: 10.1016/J.Fluid.2018.03.006  0.397
2017 Smith WR, Jirsák J, Nezbeda I, Qi W. Molecular simulation of caloric properties of fluids modelled by force fields with intramolecular contributions: Application to heat capacities. The Journal of Chemical Physics. 147: 034508. PMID 28734308 DOI: 10.1063/1.4993572  0.393
2017 Škvor J, Škvára J, Jirsák J, Nezbeda I. A general method for determining molecular interfaces and layers. Journal of Molecular Graphics & Modelling. 76: 17-35. PMID 28668730 DOI: 10.1016/J.Jmgm.2017.05.016  0.325
2017 Rouha M, Nezbeda I, Hrubý J, Moučka F. Higher virial coefficients of water Journal of Molecular Liquids. 270: 81-86. DOI: 10.1016/J.Molliq.2017.11.105  0.365
2017 Trokhymchuk A, Melnyk R, Holovko M, Nezbeda I. Role of the reference system in study of fluid criticality by effective LGW Hamiltonian approach Journal of Molecular Liquids. 228: 194-200. DOI: 10.1016/J.Molliq.2016.10.020  0.459
2016 Moučka F, Nezbeda I. Thermodynamics of supersaturated steam: Molecular simulation results. The Journal of Chemical Physics. 145: 244501. PMID 28049313 DOI: 10.1063/1.4972411  0.391
2016 Melnyk R, Nezbeda I, Trokhymchuk A. Structure factor of a hard-core fluid with short-range Yukawa attraction: analytical FMSA theory against Monte Carlo simulations Molecular Physics. 1-7. DOI: 10.1080/00268976.2016.1177663  0.462
2016 Nezbeda I, Moučka F, Smith WR. Recent progress in molecular simulation of aqueous electrolytes: force fields, chemical potentials and solubility Molecular Physics. 114: 1665-1690. DOI: 10.1080/00268976.2016.1165296  0.379
2016 Smith WR, Moučka F, Nezbeda I. Osmotic pressure of aqueous electrolyte solutions via molecular simulations of chemical potentials: Application to NaCl Fluid Phase Equilibria. 407: 76-83. DOI: 10.1016/J.Fluid.2015.05.012  0.417
2015 Moučka F, Nezbeda I, Smith WR. Chemical Potentials, Activity Coefficients, and Solubility in Aqueous NaCl Solutions: Prediction by Polarizable Force Fields. Journal of Chemical Theory and Computation. 11: 1756-64. PMID 26574385 DOI: 10.1021/Acs.Jctc.5B00018  0.366
2015 Chialvo AA, Moucka F, Vlcek L, Nezbeda I. Vapor-liquid equilibrium and polarization behavior of the GCP water model: Gaussian charge-on-spring versus dipole self-consistent field approaches to induced polarization. The Journal of Physical Chemistry. B. 119: 5010-9. PMID 25803267 DOI: 10.1021/Acs.Jpcb.5B00595  0.367
2015 Vlcek L, Uhlik F, Moucka F, Nezbeda I, Chialvo AA. Thermodynamics of small alkali metal halide cluster ions: comparison of classical molecular simulations with experiment and quantum chemistry. The Journal of Physical Chemistry. A. 119: 488-500. PMID 25513841 DOI: 10.1021/Jp509401D  0.362
2015 Jirsák J, Moučka F, Škvor J, Nezbeda I. Aqueous electrolyte surfaces in strong electric fields: molecular insight into nanoscale jets and bridges Molecular Physics. 113: 848-853. DOI: 10.1080/00268976.2014.983199  0.325
2014 Jirsák J, Moučka F, Nezbeda I. Insight into Electrospinning via Molecular Simulations Industrial & Engineering Chemistry Research. 53: 8257-8264. DOI: 10.1021/Ie404268F  0.36
2014 Jirsák J, Škvor J, Nezbeda I. Toward a simple molecular theory of hydrophobic hydration Journal of Molecular Liquids. 189: 13-19. DOI: 10.1016/J.Molliq.2013.06.020  0.457
2014 Figueroa-Gerstenmaier S, Lísal M, Nezbeda I, Smith WR, Trejos VM. Prediction of isoenthalps, Joule–Thomson Coefficients and Joule–Thomson inversion curves of refrigerants by molecular simulation Fluid Phase Equilibria. 375: 143-151. DOI: 10.1016/J.Fluid.2014.05.011  0.395
2013 Moučka F, Nezbeda I, Smith WR. Molecular Force Field Development for Aqueous Electrolytes: 1. Incorporating Appropriate Experimental Data and the Inadequacy of Simple Electrolyte Force Fields Based on Lennard-Jones and Point Charge Interactions with Lorentz-Berthelot Rules. Journal of Chemical Theory and Computation. 9: 5076-85. PMID 26583422 DOI: 10.1021/Ct4006008  0.359
2013 Moučka F, Nezbeda I, Smith WR. Molecular simulation of aqueous electrolytes: water chemical potential results and Gibbs-Duhem equation consistency tests. The Journal of Chemical Physics. 139: 124505. PMID 24089784 DOI: 10.1063/1.4821153  0.431
2013 Moučka F, Nezbeda I, Smith WR. Molecular force fields for aqueous electrolytes: SPC/E-compatible charged LJ sphere models and their limitations. The Journal of Chemical Physics. 138: 154102. PMID 23614407 DOI: 10.1063/1.4801322  0.355
2013 Moučka F, Nezbeda I, Smith WR. Computationally efficient Monte Carlo simulations for polarisable models: multi-particle move method for water and aqueous electrolytes Molecular Simulation. 39: 1125-1134. DOI: 10.1080/08927022.2013.804183  0.381
2013 Moučka F, Nezbeda I. Gibbs ensemble simulation on polarizable models: Vapor–liquid equilibrium in Baranyai–Kiss models of water Fluid Phase Equilibria. 360: 472-476. DOI: 10.1016/J.Fluid.2013.10.015  0.412
2012 Skvor J, Nezbeda I. Percolation line, response functions, and Voronoi polyhedra analysis in supercritical water Condensed Matter Physics. 15: 23301. DOI: 10.5488/Cmp.15.23301  0.406
2012 Nezbeda I, Rouha M. Extended excluded volume: Its origin and consequences Pure and Applied Chemistry. 85: 201-210. DOI: 10.1351/Pac-Con-12-04-04  0.414
2012 Nezbeda I, Škvor J. Excluded volume versus hydrogen bonding: complementary or incompatible concepts? Molecular Physics. 110: 2987-2992. DOI: 10.1080/00268976.2012.689875  0.346
2012 Krejčí J, Nezbeda I. The critical temperature and properties of real gas from low order perturbed virial expansions Fluid Phase Equilibria. 314: 156-160. DOI: 10.1016/J.Fluid.2011.10.005  0.366
2011 Nezbeda I, Jirsák J. Water and aqueous solutions: simple non-speculative model approach. Physical Chemistry Chemical Physics : Pccp. 13: 19689-703. PMID 21952227 DOI: 10.1039/C1Cp21903K  0.456
2011 Moučka F, Lísal M, Škvor J, Jirsák J, Nezbeda I, Smith WR. Molecular simulation of aqueous electrolyte solubility. 2. Osmotic ensemble Monte Carlo methodology for free energy and solubility calculations and application to NaCl. The Journal of Physical Chemistry. B. 115: 7849-61. PMID 21627127 DOI: 10.1021/Jp202054D  0.428
2011 Krejčí J, Nezbeda I, Melnyk R, Trokhymchuk A. Mean-spherical approximation for the Lennard-Jones-like two Yukawa model: Comparison against Monte Carlo data Condensed Matter Physics. 14. DOI: 10.5488/Cmp.14.33005  0.446
2011 Hlushak S, Trokhymchuk A, Nezbeda I. Improved first order mean-spherical approximation for simple fluids Condensed Matter Physics. 14: 33004. DOI: 10.5488/Cmp.14.33004  0.47
2011 Rouha M, Nezbeda I. Excess properties of aqueous solutions: Hard spheres versus pseudo-hard bodies Molecular Physics. 109: 613-617. DOI: 10.1080/00268976.2010.542779  0.431
2011 Melnyk R, Nezbeda I, Trokhymchuk A. Vapour/liquid coexistence in long-range Yukawa fluids determined by means of an augmented van der Waals approach Molecular Physics. 109: 113-121. DOI: 10.1080/00268976.2010.542034  0.424
2011 Škvor J, Nezbeda I. Percolation line and response functions in simple supercritical fluids Molecular Physics. 109: 133-139. DOI: 10.1080/00268976.2010.522209  0.376
2011 Moučka F, Nezbeda I. Water–methanol mixtures with non-Lorentz–Berthelot combining rules: A feasibility study Journal of Molecular Liquids. 159: 47-51. DOI: 10.1016/J.Molliq.2010.05.005  0.4
2011 Nezbeda I, Melnyk R, Trokhymchuk A. Augmented van der Waals equations of state: SAFT-VR versus Yukawa based van der Waals equation Fluid Phase Equilibria. 309: 174-178. DOI: 10.1016/J.Fluid.2011.07.006  0.418
2010 Krejcí J, Nezbeda I, Melnyk R, Trokhymchuk A. EXP6 fluids at extreme conditions modeled by two-Yukawa potentials. The Journal of Chemical Physics. 133: 094503. PMID 20831320 DOI: 10.1063/1.3478220  0.395
2010 Melnyk R, Orea P, Nezbeda I, Trokhymchuk A. Liquid/vapor coexistence and surface tension of the Sutherland fluid with a variable range of interaction: computer simulation and perturbation theory studies. The Journal of Chemical Physics. 132: 134504. PMID 20387938 DOI: 10.1063/1.3371710  0.445
2010 Smith WR, Francová M, Kowalski M, Nezbeda I. Refrigeration cycle design for refrigerant mixtures by molecular simulation Collection of Czechoslovak Chemical Communications. 75: 383-391. DOI: 10.1135/Cccc2009544  0.418
2010 Jirsák J, Nezbeda I. A note on scenarios of metastable water Collection of Czechoslovak Chemical Communications. 75: 593-605. DOI: 10.1135/Cccc2009543  0.397
2010 Předota M, Nezbeda I, Pařez S. Coarse-grained potential for interaction with a spherical colloidal particle and planar wall Collection of Czechoslovak Chemical Communications. 75: 527-545. DOI: 10.1135/Cccc2009542  0.729
2010 Moučka F, Nezbeda I. The multi-particle sampling method in Monte Carlo simulations on fluids and its efficient implementations Molecular Simulation. 36: 526-534. DOI: 10.1080/08927021003692547  0.393
2010 Nezbeda I, Melnyk R, Trokhymchuk A. A new concept for augmented van der Waals equations of state Journal of Supercritical Fluids. 55: 448-454. DOI: 10.1016/J.Supflu.2010.10.041  0.417
2009 Skvor J, Nezbeda I. Percolation threshold parameters of fluids. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 79: 041141. PMID 19518207 DOI: 10.1103/Physreve.79.041141  0.406
2009 Moučka F, Nezbeda I. Partial molar volume of methanol in water: Effect of polarizability Collection of Czechoslovak Chemical Communications. 74: 559-563. DOI: 10.1135/Cccc2008202  0.392
2009 Moučka F, Nezbeda I. Multi-particle sampling in Monte Carlo simulations on fluids: efficiency and extended implementations Molecular Simulation. 35: 660-672. DOI: 10.1080/08927020902725572  0.393
2009 Melnyk R, Nezbeda I, Henderson D, Trokhymchuk A. On the role of the reference system in perturbation theory: An augmented van der Waals theory of simple fluids Fluid Phase Equilibria. 279: 1-10. DOI: 10.1016/J.Fluid.2008.12.004  0.418
2009 Rouha M, Nezbeda I. Fluids of pseudo-hard bodies: From simulations to equations of state Fluid Phase Equilibria. 278: 15-19. DOI: 10.1016/J.Fluid.2008.11.020  0.479
2009 Rouha M, Nezbeda I. Non-Lorentz–Berthelot Lennard-Jones mixtures: A systematic study Fluid Phase Equilibria. 277: 42-48. DOI: 10.1016/J.Fluid.2008.11.007  0.407
2008 Jirsák J, Nezbeda I. Fluid Of Hard Spheres With A Modified Dipole : Simulation And Theory Collection of Czechoslovak Chemical Communications. 73: 541-557. DOI: 10.1135/Cccc20080541  0.456
2008 Rouha M, Moučka F, Nezbeda I. The Effect of Cross Interactions on Mixing Properties: Non-Lorentz-Berthelot Lennard-Jones Mixtures Collection of Czechoslovak Chemical Communications. 73: 533-540. DOI: 10.1135/Cccc20080533  0.373
2008 Kolafa J, Moučka F, Nezbeda I. Handling Electrostatic Interactions in Molecular Simulations: A Systematic Study Collection of Czechoslovak Chemical Communications. 73: 481-506. DOI: 10.1135/Cccc20080481  0.405
2008 Škvor J, Nezbeda I. On Universality of the Wrapping Percolation Transition Collection of Czechoslovak Chemical Communications. 73: 401-412. DOI: 10.1135/Cccc20080401  0.339
2008 Rouha M, Nezbeda I. Thermodynamics of pseudo-hard body mixtures Molecular Physics. 106: 2481-2485. DOI: 10.1080/00268970802570342  0.468
2007 Skvor J, Nezbeda I, Brovchenko I, Oleinikova A. Percolation transition in fluids: scaling behavior of the spanning probability functions. Physical Review Letters. 99: 127801. PMID 17930553 DOI: 10.1103/Physrevlett.99.127801  0.351
2007 Jirsák J, Nezbeda I. Toward a statistical mechanical theory for water: analytical theory for a short-ranged reference system. The Journal of Chemical Physics. 127: 124508. PMID 17902922 DOI: 10.1063/1.2771547  0.412
2007 Melnyk R, Moucka F, Nezbeda I, Trokhymchuk A. Novel perturbation approach for the structure factor of the attractive hard-core Yukawa fluid. The Journal of Chemical Physics. 127: 094510. PMID 17824751 DOI: 10.1063/1.2766937  0.339
2007 Moucka F, Rouha M, Nezbeda I. Efficient multiparticle sampling in Monte Carlo simulations on fluids: application to polarizable models. The Journal of Chemical Physics. 126: 224106. PMID 17581043 DOI: 10.1063/1.2745293  0.371
2007 Jirsák J, Nezbeda I. Molecular-based equation of state for TIP4P water Journal of Molecular Liquids. 136: 310-316. DOI: 10.1016/J.Molliq.2007.08.018  0.443
2007 Jirsák J, Nezbeda I. Molecular mechanisms underlying the thermodynamic properties of water Journal of Molecular Liquids. 134: 99-106. DOI: 10.1016/J.Molliq.2006.12.010  0.384
2007 Rouha M, Nezbeda I. Lower virial coefficients of primitive models of polar and associating fluids Journal of Molecular Liquids. 134: 107-110. DOI: 10.1016/J.Molliq.2006.12.006  0.418
2007 Vlček L, Nezbeda I. Excess properties of aqueous mixtures of methanol: Simple models versus experiment Journal of Molecular Liquids. 131: 158-162. DOI: 10.1016/J.Molliq.2006.08.052  0.365
2007 Figueroa-Gerstenmaier S, Francova M, Kowalski M, Lisal M, Nezbeda I, Smith WR. Molecular-level computer simulation of a vapor-compression refrigeration cycle Fluid Phase Equilibria. 259: 195-200. DOI: 10.1016/J.Fluid.2007.06.020  0.447
2006 Vega C, Abascal JLF, Nezbeda I. 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. Journal of Chemical Physics. 125: 34503. PMID 16863358 DOI: 10.1063/1.2215612  0.378
2006 Lísal M, Nezbeda I, Ungerer P, Teuler JM, Rousseau B. Low-temperature vapor-liquid equilibria from parallelized molecular dynamics simulations. Application to 1- and 2-methylnaphthalene. The Journal of Physical Chemistry. B. 110: 12083-8. PMID 16800520 DOI: 10.1021/Jp060326F  0.385
2006 Jedlovszky P, Předota M, Nezbeda I. Hydration of apolar solutes of varying size: a systematic study Molecular Physics. 104: 2465-2476. DOI: 10.1080/00268970600761101  0.686
2006 Trokhymchuk A, Nezbeda I, Jirsák J, Henderson D. Erratum: "Hard sphere radial distribution function again" †J. Chem. Phys. 123, 024501 "2005…‡ Journal of Chemical Physics. 124: 149902. DOI: 10.1063/1.2188941  0.349
2006 González-Salgado D, Nezbeda I. Excess properties of aqueous mixtures of methanol: Simulation versus experiment Fluid Phase Equilibria. 240: 161-166. DOI: 10.1016/J.Fluid.2005.12.007  0.392
2006 Smith WR, Lísal M, Nezbeda I. Molecular-level Monte Carlo simulation at fixed entropy Chemical Physics Letters. 426: 436-440. DOI: 10.1016/J.Cplett.2006.05.121  0.394
2005 Chialvo AA, Kettler M, Nezbeda I. Effect of the range of interactions on the properties of fluids. 2. Structure and phase behavior of acetonitrile, hydrogen fluoride, and formic acid. The Journal of Physical Chemistry. B. 109: 9736-50. PMID 16852173 DOI: 10.1021/Jp050922U  0.367
2005 Trokhymchuk A, Nezbeda I, Jirsák J, Henderson D. Hard-sphere radial distribution function again. The Journal of Chemical Physics. 123: 24501. PMID 16050753 DOI: 10.1063/1.1979488  0.362
2005 Moucka F, Nezbeda I. Detection and characterization of structural changes in the hard-disk fluid under freezing and melting conditions. Physical Review Letters. 94: 040601. PMID 15783545 DOI: 10.1103/Physrevlett.94.040601  0.366
2005 Vlček L, Nezbeda I. From realistic to simple models of fluids. III Primitive models of carbon dioxide, hydrogen sulphide and acetone, and their properties Molecular Physics. 103: 1905-1915. DOI: 10.1080/00268970500083630  0.409
2005 Nezbeda I. Towards a unified view of fluids Molecular Physics. 103: 59-76. DOI: 10.1080/0026897042000274775  0.467
2004 ek L, Nezbeda I. Thermodynamics of simple models of associating fluids: primitive models of ammonia, methanol, ethanol and water Molecular Physics. 102: 771-781. DOI: 10.1080/00268970410001705343  0.426
2004 Vlcek L, Nezbeda I. From realistic to simple models of associating fluids. II. Primitive models of ammonia, ethanol and models of water revisited Molecular Physics. 102: 485-497. DOI: 10.1080/00268970410001668417  0.432
2004 Nezbeda I, Vlček L. Thermophysical Properties of Fluids: From Realistic to Simple Models and Their Applications International Journal of Thermophysics. 25: 1037-1049. DOI: 10.1023/B:Ijot.0000038498.47700.3F  0.431
2004 Lisal M, Nezbeda I, Smith WR. Vapor-liquid equilibria in five-site (TIP5P) models of water Journal of Physical Chemistry B. 108: 7412-7414. DOI: 10.1021/Jp0495242  0.371
2004 Lı́sal M, Nezbeda I. Conformations of homopolymer chains and their phase behavior in a simple supercritical solvent Fluid Phase Equilibria. 222: 247-254. DOI: 10.1016/J.Fluid.2004.06.015  0.338
2004 Nezbeda I, Smith WR. On the calculation of the critical temperature from the second virial coefficient Fluid Phase Equilibria. 216: 183-186. DOI: 10.1016/J.Fluid.2003.11.006  0.406
2004 Nezbeda I. Role of the range of intermolecular interactions in fluids Current Opinion in Colloid and Interface Science. 9: 107-111. DOI: 10.1016/J.Cocis.2004.05.013  0.407
2003 Vlček L, Slovák J, Nezbeda I. Thermodynamic perturbation theory of the second order: Implementation for models with double-bonded sites Molecular Physics. 101: 2921-2927. DOI: 10.1080/00268970310001606795  0.346
2003 Vlcek L, Nezbeda I. From realistic to primitive models: a primitive model of methanol Molecular Physics. 101: 2987-2996. DOI: 10.1080/00268970310001605750  0.327
2003 Slovák J, Nezbeda I. On accuracy of Wertheim's thermodynamic perturbation theory for primitive models of water Molecular Physics. 101: 789-798. DOI: 10.1080/0026897031000075633  0.4
2003 Lı́sal M, Nezbeda I. Conformations of attractive, repulsive, and amphiphilic polymer chains in a simple supercritical solvent: Molecular simulation study Journal of Chemical Physics. 119: 4026-4034. DOI: 10.1063/1.1591722  0.334
2003 Předota M, Ben-Naim A, Nezbeda I. On independence of the solvation of interaction sites of a water molecule The Journal of Chemical Physics. 118: 6446-6454. DOI: 10.1063/1.1559687  0.706
2002 PŘEDOTA M, NEZBEDA I, CUMMINGS PT. Hydrophobic hydration at the level of primitive models. II: Large solutes and water restructuring Molecular Physics. 100: 2189-2200. DOI: 10.1080/00268970210124800  0.725
2002 Lı́sal M, Kolafa J, Nezbeda I. An examination of the five-site potential (TIP5P) for water Journal of Chemical Physics. 117: 8892-8897. DOI: 10.1063/1.1514572  0.398
2002 Vlček L, Nezbeda I. Size and shape dependence of hydrophobic hydration at the level of primitive models Physical Chemistry Chemical Physics. 4: 3704-3711. DOI: 10.1039/B202204D  0.387
2002 Kettler M, Nezbeda I, Chialvo AA, Cummings PT. Effect of the Range of Interactions on the Properties of Fluids. Phase Equilibria in Pure Carbon Dioxide, Acetone, Methanol, and Water The Journal of Physical Chemistry B. 106: 7537-7546. DOI: 10.1021/Jp020139R  0.568
2001 Kolafa J, Nezbeda I, Lísal M. Effect of short- and long-range forces on the properties of fluids. III. Dipolar and quadrupolar fluids Molecular Physics. 99: 1751-1764. DOI: 10.1080/00268970110072386  0.407
2001 Nezbeda I, Weingerl U. A molecular-based theory for the thermodynamic properties of water Molecular Physics. 99: 1595-1606. DOI: 10.1080/00268970110064790  0.465
2001 Nezbeda I. Can we understand (and model) aqueous solutions without any long range electrostatic interactions Molecular Physics. 99: 1631-1639. DOI: 10.1080/00268970110064781  0.384
2001 Nezbeda I, Lísal M. Effect of short and long range forces on the thermodynamic properties of water. A simple short range reference system Molecular Physics. 99: 291-300. DOI: 10.1080/00268970010012310  0.424
2001 Lísal M, Smith WR, Nezbeda I. Accurate vapour–liquid equilibrium calculations for complex systems using the reaction Gibbs ensemble Monte Carlo simulation method Fluid Phase Equilibria. 181: 127-146. DOI: 10.1016/S0378-3812(01)00489-7  0.441
2001 Kettler M, Vörtler HL, Nezbeda I, Strnad M. Coexistence properties of higher n-alkanes modelled as Kihara fluids: Gibbs ensemble simulations Fluid Phase Equilibria. 181: 83-94. DOI: 10.1016/S0378-3812(01)00364-8  0.413
2001 Nezbeda I. On dispersion force correction terms in perturbed equations of state Fluid Phase Equilibria. 180: 175-181. DOI: 10.1016/S0378-3812(01)00345-4  0.358
2000 Strnad M, Nezbeda I. Parallelized sampling of the Gibbs ensemble Molecular Physics. 98: 1887-1894. DOI: 10.1080/00268970009483392  0.351
2000 Kolafa J, Nezbeda I. Effect of short and long range forces on the structure of water. II. Orientational ordering and the dielectric constant Molecular Physics. 98: 1505-1520. DOI: 10.1080/00268970009483356  0.313
2000 Lı́sal M, Smith WR, Nezbeda I. Computer simulation of the thermodynamic properties of high-temperature chemically-reacting plasmas Journal of Chemical Physics. 113: 4885-4895. DOI: 10.1063/1.1289245  0.356
2000 Nezbeda I. Solubility of apolar fluids in water: a simple molecular model and theory Fluid Phase Equilibria. 170: 13-22. DOI: 10.1016/S0378-3812(00)00316-2  0.493
2000 Nezbeda I. On the role of short- and long-range forces in aqueous systems Journal of Molecular Liquids. 85: 249-255. DOI: 10.1016/S0167-7322(99)00184-1  0.358
2000 Lísal M, Smith WR, Nezbeda I. Molecular simulation of multicomponent reaction and phase equilibria in MTBE ternary system Aiche Journal. 46: 866-875. DOI: 10.1002/Aic.690460419  0.398
1999 Strnada M, Nezbeda I. An Extended Gibbs Ensemble Molecular Simulation. 22: 183-198. DOI: 10.1080/08927029908022095  0.422
1999 NEZBEDA I, CUMMINGS PT. Fifth Liblice Conference on the Statistical Mechanics of Liquids (June 7–12, 1998, [Zcirc]elezná Ruda, Šumava National Park, Czech Republic) Molecular Physics. 96: 1583-1585. DOI: 10.1080/00268979909483100  0.433
1999 P[Rbreve]EDOTA M, NEZBEDA I. Hydrophobic hydration at the level of primitive models Molecular Physics. 96: 1237-1248. DOI: 10.1080/00268979909483069  0.405
1999 Lísal M, Nezbeda I. Pure fluids of homonuclear and heteronuclear square-well diatomics I. Computer simulation study Molecular Physics. 96: 335-347. DOI: 10.1080/00268979909482967  0.491
1999 Nezbeda I, Kolafa J. Effect of short- and long-range forces on the structure of water: temperature and density dependence Molecular Physics. 97: 1105-1116. DOI: 10.1080/00268979909482911  0.4
1999 Lı́sal M, Nezbeda I, Smith WR. The Reaction Ensemble Method For The Computer Simulation Of Chemical And Phase Equilibria. Ii. The Br2+Cl2+Brcl System Journal of Chemical Physics. 110: 8597-8604. DOI: 10.1063/1.478767  0.377
1999 Kolafa J, Nezbeda I, Pavlíček J, Smith WR. Global phase diagrams of model and real binary fluid mixtures Part II. Non-Lorentz–Berthelot mixtures of attractive hard spheres Physical Chemistry Chemical Physics. 1: 4233-4240. DOI: 10.1039/A902837D  0.356
1999 Lísal M, Smith WR, Nezbeda I. Accurate Computer Simulation Of Phase Equilibrium For Complex Fluid Mixtures. Application To Binaries Involving Isobutene, Methanol, Methyl Tert-Butyl Ether, And N-Butane Journal of Physical Chemistry B. 103: 10496-10505. DOI: 10.1021/Jp991188F  0.389
1999 Nezbeda I, Pavlı́ček J, Kolafa J, Galindo A, Jackson G. Global phase behavior of model mixtures of water and n-alkanols Fluid Phase Equilibria. 158: 193-199. DOI: 10.1016/S0378-3812(99)00051-5  0.389
1999 Lı́sal M, Nezbeda I, Vörtler HL. Fluid–solid boundary of the compressed EXP-6 fluids Fluid Phase Equilibria. 154: 49-54. DOI: 10.1016/S0378-3812(98)00425-7  0.428
1998 Strnad M, Nezbeda I. Extended primitive models of water revisited Molecular Physics. 93: 25-30. DOI: 10.1080/002689798169401  0.359
1998 Smith WR, Nezbeda I, Strnad M, Třı́ska B, Labı́k S, Malijevský A. Generalized thermodynamic perturbation theory for polyatomic fluid mixtures. I. Formulation and results for chemical potentials Journal of Chemical Physics. 109: 1052-1061. DOI: 10.1063/1.476647  0.405
1998 Nezbeda I. Structure of water: Short-ranged versus long-ranged forces Czechoslovak Journal of Physics. 48: 117-122. DOI: 10.1023/A:1021252616545  0.368
1998 Kolafa J, Nezbeda I, Pavlı́ček J, Smith WR. Global phase diagrams of model and real binary fluid mixtures: Lorentz–Berthelot mixture of attractive hard spheres Fluid Phase Equilibria. 146: 103-121. DOI: 10.1016/S0378-3812(98)00226-X  0.398
1997 NEZBEDA I, SLOVÁK J. A family of primitive models of water: three-, four and five-site models Molecular Physics. 90: 353-372. DOI: 10.1080/002689797172471  0.376
1997 Slovak J, Nezbeda I. Extended five-site primitive models of water: theory and computer simulations Molecular Physics. 91: 1125-1136. DOI: 10.1080/002689797170851  0.442
1997 NEZBEDA I. Fluids of pseudo-hard bodies Molecular Physics. 90: 661-664. DOI: 10.1080/00268979709482648  0.431
1997 Nezbeda I, Kolafa J, Smith WR. Global phase diagrams of binary mixtures Systematicbasis for describing types of phase equilibriumphenomena Journal of the Chemical Society, Faraday Transactions. 93: 3073-3080. DOI: 10.1039/A608196G  0.317
1997 Nezbeda I, Kolafa J, Smith WR. Molecular theory of phase equilibria in model and real associated mixtures III. Binary solutions of inert gases and n-alkanes in ammonia and methanol Fluid Phase Equilibria. 130: 133-156. DOI: 10.1016/S0378-3812(96)03192-5  0.386
1997 Nezbeda I. Simple short-ranged models of water and their application. A review Journal of Molecular Liquids. 317-336. DOI: 10.1016/S0167-7322(97)00076-7  0.391
1996 Nezbeda I, Pavlíček J. Application of primitive models of association: A simple theoretical equation of state of water Fluid Phase Equilibria. 116: 530-536. DOI: 10.1016/0378-3812(95)02927-3  0.395
1996 Nezbeda I, Slovák J. Can Lennard-Jones particles with four bonding sites realistically model water? Chemical Physics Letters. 260: 336-340. DOI: 10.1016/0009-2614(96)00953-0  0.438
1995 Nezbeda I, Kolafa J. The Use of Control Quantities in Computer Simulation Experiments: Application to the Exp-6 Potential Fluid Molecular Simulation. 14: 153-163. DOI: 10.1080/08927029508022013  0.372
1995 Strnad M, Nezbeda I. Equation of state and chemical potential of ternary mixtures of hard spheres and heteronuclear diatomics Molecular Physics. 85: 91-101. DOI: 10.1080/00268979500100961  0.459
1995 Kolafa J, Nezbeda I. The hard tetrahedron fluid: a model for the structure of water? Molecular Physics. 84: 421-434. DOI: 10.1080/00268979500100281  0.42
1995 Nezbeda I, Kolafa J, Pavlíček J, Smith WR. Molecular theory of phase equilibria in model and real associated mixtures. II. Binary aqueous mixtures of inert gases and n‐alkanes Journal of Chemical Physics. 102: 9638-9646. DOI: 10.1063/1.468782  0.434
1994 Nezbeda I, Smith WR, Kolafa J. Molecular theory of phase equilibria in model associated mixtures. I. Binary mixtures of water and a simple fluid Journal of Chemical Physics. 100: 2191-2201. DOI: 10.1063/1.466516  0.455
1994 Kolafa J, Nezbeda I. The Lennard-Jones fluid: an accurate analytic and theoretically-based equation of state Fluid Phase Equilibria. 100: 1-34. DOI: 10.1016/0378-3812(94)80001-4  0.421
1993 Kolafa J, Vörtler HL, Aim K, Nezbeda I. The Lennard-Jones Fluid Revisited: Computer Simulation Results Molecular Simulation. 11: 305-319. DOI: 10.1080/08927029308022515  0.433
1993 Aim K, Kolafa J, Nezbeda I, Vörtler HL. The Lennard-Jones fluid revisited: new thermodynamic data and new equation of state Fluid Phase Equilibria. 83: 15-22. DOI: 10.1016/0378-3812(93)87002-I  0.444
1993 Nezbeda I. Molecular-thermodynamic reference equations of state Fluid Phase Equilibria. 87: 237-253. DOI: 10.1016/0378-3812(93)85029-L  0.416
1992 Nezbeda I, Smith WR. Theory of the glass transition and the amorphous state. I. The hard-sphere fluid Molecular Physics. 75: 789-803. DOI: 10.1080/00268979200100601  0.351
1991 Nezbeda I, Kolafa J. A New Version of the Insertion Particle Method for Determining the Chemical Potential by Monte Carlo Simulation Molecular Simulation. 5: 391-403. DOI: 10.1080/08927029108022424  0.387
1991 Kalyuzhnyi YV, Nezbeda I. Analytical solution of Wertheim's OZ equation for the Smith-Nezbeda model of associated liquids Molecular Physics. 73: 703-713. DOI: 10.1080/00268979100101481  0.369
1991 Kolafa J, Nezbeda I. Primitive models of associated liquids: Equation of state, liquid-gas phase transition, and percolation threshold Molecular Physics. 72: 777-785. DOI: 10.1080/00268979100100551  0.386
1991 Nezbeda I, Kahl G. First-order correction to the three-body correlation function Chemical Physics Letters. 183: 337-339. DOI: 10.1016/0009-2614(91)90388-P  0.382
1990 Nezbeda I, Reddy MR, Smith WR. Monte Carlo study of hard-body fluids at a hard wall : pure fluids and mixtures of spheres, heteronuclear dumbbells and linear triatomics Molecular Physics. 71: 915-929. DOI: 10.1080/00268979000102231  0.445
1989 Nezbeda I, Aim K, Kolafa J. On Volume-Explicit Equations of State: Hard-Body and Real Fluids Zeitschrift FüR Physikalische Chemie. 270: 533-539. DOI: 10.1515/Zpch-1989-27062  0.389
1989 Nezbeda I, Labík S, Malijevský A. Structure of hard body fluids. A critical compilation of selected computer simulation data Collection of Czechoslovak Chemical Communications. 54: 1137-1202. DOI: 10.1135/Cccc19891137  0.377
1989 Nezbeda I, Iglesias-Silva GA. Primitive model of water Molecular Physics. 69: 767-774. DOI: 10.1080/00268979000100561  0.417
1989 Vörtler HL, Kolafa J, Nezbeda I. Computer simulation studies of hard body fluid mixtures II Molecular Physics. 68: 547-561. DOI: 10.1080/00268978900102351  0.415
1989 Kolafa J, Nezbeda I. Implementation of the Dahl-Andersen-Wertheim theory for realistic water-water potentials Molecular Physics. 66: 87-95. DOI: 10.1080/00268978900100041  0.386
1989 Nezbeda I, Aim K. On the way from theoretical calculations to practical equations of state for real fluids Fluid Phase Equilibria. 52: 39-46. DOI: 10.1016/0378-3812(89)80309-7  0.389
1989 Aim K, Nezbeda I. Thermodynamic properties of the Lennard-Jones fluid. I: Simulation data, rigorous theories and parameterized equations of state Fluid Phase Equilibria. 48: 11-22. DOI: 10.1016/0378-3812(89)80190-6  0.467
1989 Nezbeda I, Kolafa J, Labík S. The spherical harmonic expansion coefficients and multidimensional integrals in theories of liquids Czechoslovak Journal of Physics. 39: 65-79. DOI: 10.1007/Bf01597437  0.326
1988 Nezbeda I, Tříska B, Malijevský A. The fifth virial coefficients of fused hard sphere fluids Czechoslovak Journal of Physics. 38: 1234-1242. DOI: 10.1007/Bf01597292  0.401
1987 Labík S, Smith WR, Nezbeda I. The RAM perturbation theory for molecular fluid mixtures. I: Site-centred correlation functions Molecular Physics. 62: 775-784. DOI: 10.1080/00268978700102551  0.453
1987 Kolafa J, Nezbeda I. Monte Carlo simulations on primitive models of water and methanol Molecular Physics. 61: 161-175. DOI: 10.1080/00268978700101051  0.426
1987 Labík S, Malijevský A, Nezbeda I. Correlation functions of hard body fluids from thermodynamic properties of their mixtures Molecular Physics. 60: 1107-1120. DOI: 10.1080/00268978700100741  0.441
1987 Nezbeda I, Aim K. Perturbed hard sphere equations of state of real fluids—II. Residual parameter ap of non-polar liquids Fluid Phase Equilibria. 34: 171-188. DOI: 10.1016/0378-3812(87)80030-4  0.39
1987 Strnad M, Nezbeda I. The second virial coefficient of quadrupolar dumbells Czechoslovak Journal of Physics. 37: 1261-1276. DOI: 10.1007/Bf01599676  0.344
1986 Boublík T, Nezbeda I. P-V-T behaviour of hard body fluids. Theory and experiment Collection of Czechoslovak Chemical Communications. 51: 2301-2432. DOI: 10.1135/Cccc19862301  0.651
1986 Nezbeda I, Vörtler HL. MC simulation results for a hard core model of carbon tetrachloride Molecular Physics. 57: 909-918. DOI: 10.1080/00268978600100651  0.448
1985 Nezbeda I. Towards a new spherical reference for molecular fluids Molecular Physics. 54: 1009-1014. DOI: 10.1080/00268978500103341  0.412
1985 Nezbeda I, Reddy MR, Smith WR. Computer simulation studies of molecular fluid mixtures Molecular Physics. 55: 447-462. DOI: 10.1080/00268978500101471  0.439
1985 Nezbeda I. Hard body fluids again: virial coefficients and equations of state Czechoslovak Journal of Physics. 35: 752-767. DOI: 10.1007/Bf01596187  0.444
1984 Labik S, Nezbeda I, Smith WR. The site-site pair correlation functions of molecular fluids Molecular Physics. 52: 815-825. DOI: 10.1080/00268978400101581  0.383
1984 Nezbeda I, Boublík T. On the possible equivalence of hard convex molecule fluids Molecular Physics. 51: 1443-1447. DOI: 10.1080/00268978400100941  0.694
1984 Smith WR, Nezbeda I. A simple model for associated fluids Journal of Chemical Physics. 81: 3694-3699. DOI: 10.1063/1.448120  0.418
1984 Nezbeda I, Smith WR, Labik S. Perturbation theory for the Lennard‐Jones diatomic fluid. II. Thermodynamic and quasithermodynamic properties Journal of Chemical Physics. 81: 935-943. DOI: 10.1063/1.447694  0.397
1984 Smith WR, Nezbeda I, Labik S. A simple pseudomolecular fluid model. Exact and approximate structural properties Journal of Chemical Physics. 80: 5219-5229. DOI: 10.1063/1.446592  0.443
1984 Nezbeda I, Aim K. Perturbed hard-sphere equations of state of real fluids. II. Effective hard-sphere diameters and residual properties Fluid Phase Equilibria. 17: 1-18. DOI: 10.1016/0378-3812(84)80010-2  0.458
1984 Smith WR, Nezbeda I, Reddy MR. The RAM perturbation theory for inhomogeneous molecular fluids: Hard dumbbells at a hard wall Chemical Physics Letters. 106: 575-578. DOI: 10.1016/0009-2614(84)85386-5  0.413
1983 Labik S, Nezbeda I. Fluid of general hard triatomic molecules Molecular Physics. 48: 97-109. DOI: 10.1080/00268978300100071  0.441
1983 Nezbeda I, Smith WR, Labik S. Perturbation theory for the Lennard‐Jones diatomic fluid. I. Site‐centered spherical harmonic coefficients Journal of Chemical Physics. 79: 6242-6253. DOI: 10.1063/1.445729  0.376
1983 Aim K, Nezbeda I. Perturbed hard sphere equations of state of real liquids. I. Examination of a simple equation of the second order Fluid Phase Equilibria. 12: 235-251. DOI: 10.1016/0378-3812(83)80064-8  0.419
1982 Melnyk TW, Smith WR, Nezbeda I. Perturbation theories for molecular fluids: III. RAM theory results for Lennard-Jones diatomic and quadrupolar fluids Molecular Physics. 46: 629-640. DOI: 10.1080/00268978200101451  0.418
1982 Nezbeda I, Labik S. Fluids of general hard triatomic molecules: I. Virial coefficients Molecular Physics. 47: 1087-1096. DOI: 10.1080/00268978200100792  0.386
1982 Nezbeda I, Smith WR. The site-site correlation functions of molecular fluids: I. Computation via zeroth order perturbation theory Molecular Physics. 45: 681-694. DOI: 10.1080/00268978200100531  0.392
1981 Smith WR, Nezbeda I. Perturbation theories for molecular fluids: II. accurate structural and thermodynamic properties of the hard spherocylinder fluid Molecular Physics. 44: 347-361. DOI: 10.1080/00268978100102491  0.442
1981 Cummings P, Nezbeda I, Smith WR, Morriss G. Monte Carlo simulation results for the full pair correlation function of the hard dumbell fluid Molecular Physics. 43: 1471-1475. DOI: 10.1080/00268978100102241  0.55
1981 Nezbeda I, Smith WR. Equation of state of site‐interaction fluids from the site–site correlation function Journal of Chemical Physics. 75: 4060-4063. DOI: 10.1063/1.442564  0.465
1981 Nezbeda I, Smith WR. The use of a site-centred coordinate system in the statistical mechanics of site-interaction molecular fluids Chemical Physics Letters. 81: 79-82. DOI: 10.1016/0009-2614(81)85331-6  0.352
1981 Smith WR, Nezbeda I. Computation of the pair correlation function of a repulsive finite-intercept hard-core simple fluid Chemical Physics Letters. 82: 96-99. DOI: 10.1016/0009-2614(81)85115-9  0.43
1981 Nezbeda I. Simple pair potential model for real fluids. III. Parameter determination and a revised model for spherical molecules Czechoslovak Journal of Physics. 31: 563-571. DOI: 10.1007/Bf01605299  0.363
1981 Labík S, Malijevský A, Nezbeda I. The radial distribution function of a soft-repulsive hard core particle system Czechoslovak Journal of Physics. 31: 8-15. DOI: 10.1007/Bf01604426  0.419
1980 Nezbeda I, Labík S, Malijevský A. Simple pair potential model for real fluids. II. Transport properties of dilute gases Czechoslovak Journal of Physics. 30: 862-869. DOI: 10.1007/Bf01604670  0.366
1980 Nezbeda I. Simple pair potential model for real fluids Czechoslovak Journal of Physics. 30: 481-487. DOI: 10.1007/Bf01596295  0.417
1979 Nezbeda I, Pavlíček J, Labík S. Thermodynamic properties of pure hard sphere, spherocylinder and dumbell fluids Collection of Czechoslovak Chemical Communications. 44: 3555-3565. DOI: 10.1135/Cccc19793555  0.424
1979 Nezbeda I, Smith WR, Boublík T. Conjectures on fluids of hard spherocylinders, dumbells, and spheres Molecular Physics. 37: 985-989. DOI: 10.1080/00268977900103341  0.69
1979 Nezbeda I, Smith WR. The ram perturbation theory and the hard dumbbell fluid Chemical Physics Letters. 64: 146-149. DOI: 10.1016/0009-2614(79)87296-6  0.371
1979 Pavlíček J, Nezbeda I, Boublík T. An accurate equation of state of a hard convex body fluid mixture Czechoslovak Journal of Physics. 29: 1061-1070. DOI: 10.1007/Bf01596105  0.718
1978 Smith WR, Nezbeda I, Melnyk TW, Fitts DD. Reference system selection and average Mayer-function perturbation theory for molecular fluids Faraday Discussions of the Chemical Society. 66: 130-137. DOI: 10.1039/Dc9786600130  0.389
1978 Nezbeda I. Properties of a hard spherocylinder fluid from the blip function theory Czechoslovak Journal of Physics. 28: 1071-1080. DOI: 10.1007/Bf01602794  0.407
1977 Nezbeda I. Statistical thermodynamics of interaction-site molecules Molecular Physics. 33: 1287-1299. DOI: 10.1080/00268977700101081  0.405
1977 Boublík T, Nezbeda I. Equation of state for hard dumbbells Chemical Physics Letters. 46: 315-316. DOI: 10.1016/0009-2614(77)85269-X  0.681
1977 Nezbeda I, Boublík T. Hard heteronuclear dumb-bell fluid Czechoslovak Journal of Physics. 27: 1071-1074. DOI: 10.1007/Bf01589566  0.68
1977 Nezbeda I, Boublík T. Hard oblate spherocylinders: Monte carlo virial coefficients Czechoslovak Journal of Physics. 27: 953-956. DOI: 10.1007/Bf01588945  0.662
1977 Nezbeda I. Soft nonspherical repulsions and properties of non-polar liquids Czechoslovak Journal of Physics. 27: 910-919. DOI: 10.1007/Bf01588939  0.389
1977 Nezbeda I. Percus-Yevick theory for the system of hard spheres with a square-well attraction Czechoslovak Journal of Physics. 27: 247-254. DOI: 10.1007/Bf01587358  0.396
1977 Nezbeda I. On the asymptotic decay of pair correlations Czechoslovak Journal of Physics. 27: 481-486. DOI: 10.1007/Bf01587126  0.319
1976 Jelínek J, Nezbeda I. Analytic solution of the Percus-Yevick equation for sticky hard sphere potential Physica a-Statistical Mechanics and Its Applications. 84: 175-187. DOI: 10.1016/0378-4371(76)90071-6  0.371
1976 Nezbeda I. Virial expansion and an improved equation of state for the hard convex molecule system Chemical Physics Letters. 41: 55-58. DOI: 10.1016/0009-2614(76)85246-3  0.383
1976 Nezbeda I. Approximate hard convex body equations of state and boundaries of their validity Czechoslovak Journal of Physics. 26: 355-358. DOI: 10.1007/Bf01594272  0.324
1974 Nezbeda I. Analytic solution of Percus-Yevick equation for fluid of hard spheres Czechoslovak Journal of Physics. 24: 55-62. DOI: 10.1007/Bf01596443  0.369
1974 Nezbeda I. On solution of the Percus-Yevick equation for finite-range potential with a hard core Czechoslovak Journal of Physics. 24: 703-704. DOI: 10.1007/Bf01587308  0.341
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