1. Nezbeda: Analytic solution of Percus-Yevick equation for fluid of hard spheres. Czech.
J. Phys. B24: 55-62,1974.
2. Nezbeda: On solution of the Percus-Yevick equation for finite-range potential with a
hard core. Czech. J. Phys. B24: 703-704,1974.
3. Nezbeda, T. Boublík, O. Trnka: Monte Carlo study of the two-dimensional hard
spherocylinder system. Czech. J. Phys. B25: 119-122,1975.
4. Nezbeda: The statistical mechanics of systems with generalised nonspherical pair
potential. Czech. J. Phys. B25: 843-853,1975.
5. T. Boublík, I. Nezbeda, O. Trnka: Monte Carlo study of hard spherocylinders. Czech. J.
Phys. B26: 1081-1087,1976.
6. Nezbeda: Approximate hard convex body equations of state and boundaries of their
validity. Czech. J. Phys. B26: 355-358,1976.
7. J. Jelínek, I. Nezbeda: Analytic solution of the Percus-Yevick equation for sticky hard
sphere potential. Physica A84: 175-187,1976.
8. Nezbeda: Virial expansion and an improved equation of state for the hard convex
molecule system. Chem. Phys. Lett. 41: 55-58,1976.
9. T. Boublík, I. Nezbeda: Equation of state for hard dumb-bells. Chem. Phys. Lett. 46:
315-316,1977.
10. Nezbeda: Percus-Yevick theory for the system of hard spheres with a square-well
attraction. Czech. J. Phys. B27: 247-254,1977.
11. Nezbeda, T. Boublík: Hard oblate spherocylinders: Monte Carlo virial coefficients.
Czech. J. Phys. B27: 953-956,1977.
12. Nezbeda: On liquid-gas phase transition in the PY theory. Czech. J. Phys. B27: 10671070,1977.
13. Nezbeda: On the asymptotic decay of pair correlations. Czech. J. Phys. B27: 481486,1977.
14. Nezbeda: Soft nonspherical repulsions and properties of non-polar liquids. Czech. J.
Phys. B27: 910-919,1977.
15. Nezbeda: Statistical thermodynamics of interaction-site molecules. the theory of hard
dumb-bells. Mol. Phys. 33: 1287-1299,1977.
16. Nezbeda, T. Boublík: Hard heteronuclear dumb-bell fluid. Czech. J. Phys. B27: 10711074,1977.
17. Nezbeda: Properties of a hard spherocylinder fluid from the blip function theory.
Czech. J. Phys. B28: 1071-1080,1978.
18. W. R. Smith, I. Nezbeda, T. W. Melnyk, D. D. Fitts: Reference system selection and
the average Mayer-function perturbation theory for molecular fluids. Faraday
Discussion Chem. Soc. 66: 130-137,1978.
19. Nezbeda, T. Boublík: Monte Carlo study of hard spherocylinders. II. Czech. J. Phys.
B28: 353-356,1978.
20. Nezbeda, J. Pavlíček, S. Labík: Thermodynamic properties of pure hard sphere,
spherocylinder, and dumbell fluids. Coll. Czech. Chem. Commun. 44: 3555-3565,1979.
21. J. Pavlíček, I. Nezbeda, T. Boublík: An accurate equation of state of a hard convex
body fluid mixture. Czech. J. Phys. B29: 1061-1070,1979.
22. Nezbeda, T. W. Leland: Conformal theory of hard nonspherical molecule fluids. J.
Chem. Soc. Faraday Trans. II 5: 193-200,1979.
23. Nezbeda, W. R. Smith, T. Boublík: Conjectures on fluids of hard spherocylinders,
dumbells, and spheres. Mol. Phys. 37: 985-989,1979.
24. Nezbeda, W. R. Smith: The RAM perturbation theory and the hard dumbell fluid.
Chem. Phys. Lett. 64: 146-149,1979.
25. Nezbeda: Simple pair potential model for real fluids. Czech. J. Phys. B30: 481487,1980.
26. Nezbeda: Monte Carlo study of hard spherocylinders. III. The angular correlation
functions. Czech. J. Phys. B30: 601-612,1980.
27. Nezbeda, T. Boublík: Monte Carlo studies of mixtures of hard spheres and
spherocylinders II. Czech. J. Phys. B30: 953-956,1980.
28. Nezbeda, S. Labík, A. Malijevský: Simple pair potential model for real fluids. II.
Transport properties of dilute gases. Czech. J. Phys. B30: 862-869,1980.
29. T. Boublík, I. Nezbeda: Monte Carlo study of the equimolar mixture of hard spheres
and spherocylinders. Czech. J. Phys. B30: 121-127,1980.
30. S. Labík, A. Malijevský, I. Nezbeda: The radial distribution function of a soft-repulsive
hard core particle system. Czech. J. Phys. B31: 8-15,1981.
31. Nezbeda: Simple pair potential model for real fluids. III. Parameter determination and a
revised model for spherical molecules. Czech. J. Phys. B31: 563-571,1981.
32. Nezbeda, W. R. Smith: Equation of state of site-interaction fluids from the site-site
correlation function. J. Chem. Phys. 75: 4060-4063,1981.
33. Nezbeda, W. R. Smith: The use of a site-centered coordinate system in the statistical
mechanics of site interaction molecular fluids. Chem. Phys. Lett. 81: 79-82,1981.
34. P. Cummings, I. Nezbeda, W. R. Smith, G. Morriss: Monte Carlo simulation results for
the full pair correlation function of the hard dumbell fluid. Mol. Phys. 43: 14711475,1981.
35. W. R. Smith, I. Nezbeda: Computation of the pair correlation function of a repulsive
finite-intercept hard-core simple fluid. Chem. Phys. Lett. 82: 96-99,1981.
36. W. R. Smith, I. Nezbeda: Perturbation theory for molecular fluids. II. Accurate
structural and thermodynamic properties of the hard spherocylinder fluid. Mol. Phys.
44: 347-361,1981.
37. T. Melnyk, W. R. Smith, I. Nezbeda: Perturbation theories for molecular fluids. III.
RAM theory results for Lennard-Jones diatomic and quadrupolar fluids. Mol. Phys. 46:
629-640,1982.
38. Nezbeda, W. R. Smith: The site-site correlation functions of molecular fluids. I.
Computation via zeroth-order perturbation theory. Mol. Phys. 45: 681-694,1982.
39. Nezbeda, S. Labík: Fluid of general hard triatomic molecules. I. Virial coefficients.
Mol. Phys. 47: 1087-1096,1982.
40. S. Labík, I. Nezbeda: Fluid of general hard triatomic molecules. II. Monte Carlo
simulation results for a non-linear molecule model. Mol. Phys. 48: 97-109,1983.
41. Nezbeda, W. R. Smith, S. Labík: Perturbation theory for the Lennard-Jones diatomic
fluid. I. Site-centered spherical harmonic coefficients. J. Chem. Phys. 79: 62426253,1983.
42. K. Aim, I. Nezbeda: Perturbed hard sphere equations of state of real liquids. I.
Examination of a simple equation of the second order. Fluid Phase Equil. 12: 235251,1983.
43. W. R. Smith, I. Nezbeda: A simple model for associated fluids. J. Chem. Phys. 81:
3694-3699,1984.
44. W. R. Smith, I. Nezbeda, S. Labík: A simple pseudo-molecular fluid model. Exact and
approximate structural properties. J. Chem. Phys. 80: 5219-5229,1984.
45. W. R. Smith, I. Nezbeda, M. R. Reddy: The ram perturbation theory for
inhomogeneous molecular fluids: hard dumbells at a hard wall. Chem. Phys. Lett. 106:
575-578,1984.
46. Nezbeda, T. Boublík: On the possible eqivalence of hard convex molecule fluids. Mol.
Phys. 51: 1443-1447,1984.
47. S. Labík, I. Nezbeda, W. R. Smith: The site-site pair correlation functions of molecular
fluids. II. RAM theory results for hard heteronuclear diatomics. Mol. Phys. 52: 815825,1984.
48. Nezbeda, W. R. Smith, S. Labík: Perturbation theory for the Lennard-Jones diatomic
fluid. II. Thermodynamic and quasithermodynamic properties. J. Chem. Phys. 81: 935943,1984.
49. Nezbeda, K. Aim: Perturbed hard sphere equations of state of real fluids. II. Effective
hard sphere diameters and residual properties. Fluid Phase Equil. 17:1-18,1984.
50. Nezbeda: Hard body fluids again: virial coefficients and equations of state. Czech. J.
Phys. B35: 752-767,1985.
51. Nezbeda, M. R. Reddy, W. R. Smith: Computer simulation studies of molecular fluid
mixtures. I. Hard spheres, heteronuclear dumbells and linear triatomics. Mol. Phys. 55:
447-462,1985.
52. Nezbeda: Towards a new spherical reference for molecular fluids. Mol. Phys. 54: 10091014,1985.
53. Nezbeda, H. L. Vörtler: MC simulation results for a hard core model of carbon
tetrachloride. Mol. Phys. 57: 909-918,1986.
54. S. Labík, A. Malijevský, I. Nezbeda: Correlation functions of hard-body fluids from
thermodynamic properties of their mixtures. Mol. Phys. 60: 1107-1120,1987.
55. S. Labík, W. R. Smith, I. Nezbeda: The ram perturbation theory for molecular fluid
mixtures. I. Site-centred correlation functions. Mol. Phys. 62: 775-784,1987.
56. M. Strnad, I. Nezbeda: The second virial coefficient of quadrupolar dumbells. Czech. J.
Phys. B37: 1261-1276,1987.
57. J. Kolafa, I. Nezbeda: Monte Carlo simulations on primitive models of water and
methanol. Mol. Phys. 61: 161-175,1987.
58. Nezbeda, K. Aim: Perturbed hard sphere equations of state. Fluid Phase Equil. 34: 171188,1987.
59. Nezbeda, B. Tříska, A. Malijevský: The fifth virial coefficients of hard body fluids.
Czech. J. Phys. B38: 1234-1242,1988.
60. H. L. Vörtler, J. Kolafa, I. Nezbeda: Computer simulation studies of hard body fluid
mixtures. II. Mol. Phys. 68: 547-561,1989.
61. K. Aim, I. Nezbeda: Thermodynamic properties of the Lennard-Jones fluid. I.
Simulation data, rigorous theories and parametrized equations of state. Fluid Phase
Equil. 48: 11-22,1989.
62. Nezbeda, K. Aim: On the way from theoretical calculations to practical equations of
state for real fluids. Fluid Phase Equil. 52: 39-46,1989.
63. J. Kolafa, I. Nezbeda: Implementation of the Dahl-Andersen-Wertheim theory for
realistic water-water potentials. Mol. Phys. 66: 87-95,1989.
64. Nezbeda, J. Kolafa, Y. V. Kalyuzhnyi: Primitive model of water. II. Theoretical results
for the structure and thermodynamic properties. Mol. Phys. 68: 143-160,1989.
65. Nezbeda, K. Aim, J. Kolafa: On volume-explicit equations of state: hard-body and real
fluids. Z. phys. Chem. (Leipzig) 270: 533-539,1989.
66. Nezbeda, J. Kolafa, S. Labík: The spherical harmonic expansion coefficients and
multidimensional integrals in theories of liquids. Czech. J. Phys. B39: 65-79,1989.
67. Nezbeda, M. R. Reddy, W. R. Smith: Monte-Carlo study of hard-body fluids at a hard
wall: pure fluids and mixtures of spheres, heteronuclear dumbbells and linear
triatomics. Mol. Phys. 71: 915-929,1990.
68. Nezbeda, G. A. Iglesias-Silva: Primitive model of water. III. Analytic theoretical
results with anomalies for the thermodynamic properties. Mol. Phys. 69: 767-774,1990.
69. H. L. Vörtler, I. Nezbeda: Volume-explicit equation of state and excess volume of
mixing of fused-hard-sphere fluids. Ber. Bunsenges. Phys. Chem. 94: 559-563,1990.
70. Nezbeda, J. Kolafa, “Towards a molecular theory of water,” in Properties of water and
steam, edited by M.Píchal and O.Šifner (Hemisphere Publ. Co., New York, 1990), pp.
539-546.
71. Nezbeda, J. Kolafa: On perturbation expansion for associated liquids. Czech. J. Phys.
B40: 138-150,1990.
72. Y. V. Kalyuzhnyi, M. F. Holovko, I. Nezbeda: Analytic solution of the RISM equation
for n-atomic symmetric molecules. Czech. J. Phys. B40: 1098-1106,1990.
73. J. Kolafa, I. Nezbeda: Primitive models of associated liquids: equation of state, liquidgas phase transition and percolation threshold. Mol. Phys. 72: 777-785,1991.
74. Nezbeda, J. Kolafa: A new version of the insertion particle method for determining the
chemical potential by Monte Carlo simulation. Mol. Simul. 5: 391-403,1991.
75. Nezbeda, G. Kahl: First order correction to the three-body correlation function. Chem.
Phys. Lett. 183: 337-339,1991.
76. Y. V. Kalyuzhnyi, I. Nezbeda: Analytic solution of the Wertheim's OZ equation for the
Smith-Nezbeda model of associated liquids. Mol. Phys. 73: 703-713,1991.
77. Nezbeda, W. R. Smith: Theory of the glass transition and the amorphous state. I. The
hard-sphere fluid. Mol. Phys. 75: 789-803,1992.
78. K. Aim, J. Kolafa, I. Nezbeda, H. L. Vörtler: The Lennard-Jones fluid revisited: new
thermodynamic data and new equation of state. Fluid Phase Equil. 83: 15-22,1993.
79. Nezbeda, H. L. Vörtler: Volume-explicit perturbed hard-sphere equation of state for
gases at high pressures. Ber. Bunsenges. Phys. Chem. 97: 128-133,1993.
80. J. Kolafa, H. L. Vörtler, K. Aim, I. Nezbeda: The Lennard-Jones fluid revisited. I.
Computer simulation results. Mol. Simul. 11: 305-319,1993.
81. Nezbeda: Molecular-thermodynamic reference equations of state. Fluid Phase Equil.
87: 237-253,1993.
82. J. Kolafa, I. Nezbeda: The Lennard-Jones fluid: an accurate analytic and theoreticallybased equation of state. Fluid Phase Equil. 100: 1-34,1994.
83. Nezbeda, W. R. Smith, J. Kolafa: Molecular theory of phase equilibria in model
associated mixtures: I. Binary mixtures of water and a simple fluid. J. Chem. Phys.
100: 2191-2201,1994.
84. Nezbeda, J. Kolafa: The use of control quantities in computer simulation experiments:
application to the exp-6 potential fluid. Mol. Simul. 14: 153-163,1995.
85. Nezbeda, J. Kolafa, J. Pavlíček, W. R. Smith: Molecular theory of phase equilibria in
model and real associated mixtures. II. Binary aqueous mixtures of inert gases and nalkanes. J. Chem. Phys. 102: 9638-9646,1995.
86. Nezbeda, M. Strnad: Monte Carlo simulations in the vicinity of the critical point:
vapor-liquid coexistence curve. Czech. J. Phys. B45: 793-798,1995.
87. J. Kolafa, I. Nezbeda: The hard tetrahedron fluid: a model for the structure of water.
Mol. Phys. 85: 421-434,1995.
88. M. Strnad, I. Nezbeda: Equation of state and chemical potential of ternary mixtures of
hard spheres and heteronuclear diatomics. Mol. Phys. 85: 91-101,1995.
89. Nezbeda, J. Slovák: Can Lennard-Jones particles with four bonding sites realistically
model water. Chem. Phys. Lett. 260: 336-340,1996.
90. J. Pavlíček, I. Nezbeda: Application of primitive models of association: a simple
theoretical equation of state of water. Fluid Phase Equil. 116: 530-536,1996.
91. Nezbeda, J. Kolafa, W. R. Smith: On global phase diagrams of binary mixtures. I.
Systematic basis for describing types of phase equilibrium phenomena. J. Chem. Soc.
Faraday Trans. 93: 3073-3080,1997.
92. Nezbeda: Fluids of pseudo-hard bodies. Mol. Phys. 90: 661-664,1997.
93. Nezbeda, J. Slovák: A family of primitive models of water: three- four-, and five-site
models. Mol. Phys. 90: 353-372,1997.
94. Nezbeda, J. Kolafa, W. R. Smith: 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 Equil. 130: 133-156,1997.
95. J. Slovák, I. Nezbeda: Extended 5-site primitive models of water: theory and computer
simulations. Mol. Phys. 91: 1125-1136,1997.
96. H. L. Vörtler, I. Nezbeda, M. Lísal: The exp-6 potential fluid at very high pressures.
Computer simulations and theory. Mol. Phys. 95: 813-824,1997.
97. Nezbeda: Structure of water: short-ranged versus long-ranged forces. Czech. J. Phys.
B48: 117-122,1998.
98. W. R. Smith, I. Nezbeda, M. Strnad, B. Tříska, S. Labík: Generalized thermodynamic
perturbation theory for polyatomic fluid mixtures. I. Formulation and results for
chemical potentials. J. Chem. Phys. 109: 1052-1061,1998.
99. M. Předota, I. Nezbeda, Y. V. Kalyuzhnyi: Fluids of pseudo-hard bodies. II. Hard-body
reference systems for water, methanol, and ammonia. Mol. Phys. 94: 937-948,1998.
100. M. Strnad, I. Nezbeda: Extended primitive models of water revisited. Mol. Phys. 93:
25-30,1998.
101. J. Kolafa, I. Nezbeda, J. Pavlíček, W. R. Smith: Global phase diagrams of model and
real binary fluid mixtures: Lorentz-Berthelot mixture of attractive hard spheres. Fluid
Phase Equil. 146: 103-121,1998.
102. M. Předota, I. Nezbeda: Hydrophobic hydration at the level of primitive models. Mol.
Phys. 96: 1237-1248,1999.
103. M. Lísal, I. Nezbeda, W. R. Smith: The reaction ensemble method for the computer
simulation of chemical and phase equilibria. II. The Br2+Cl2+BrCl system. J. Chem.
Phys. 110: 8597-8604,1999.
104. Nezbeda, J. Kolafa: Effect of short- and long-range forces on the structure of water:
temperature and density dependence. Mol. Phys. 97: 1105-1116,1999.
105. Nezbeda, J. Pavlíček, J. Kolafa, A. Galindo, G. Jackson: Global phase behavior of
model mixtures of water and n-alkanols. Fluid Phase Equil. 158-160: 193-199,1999.
106. M. Lísal, W. R. Smith, I. Nezbeda: The accurate computer simulation of phase
equilibrium for complex fluid mixtures. Application to binaries involving isobutene,
methanol, methyl tert-butyl ether, and n-butane. J. Phys. Chem. B 103: 1049610505,1999.
107. J. Kolafa, I. Nezbeda, J. Pavlíček, W. R. Smith: Global phase diagrams of model and
real binary fluid mixtures. Part II. Non-Lorentz-Berthelot mixture of attractive hard
spheres. Phys. Chem. Chem. Phys. 1: 4233-4240,1999.
108. M. Lísal, I. Nezbeda, H. L. Vörtler: Fluid-solid boundary of the compressed exp-6
fluids. Fluid Phase Equil. 154: 49-54,1999.
109. M. Lísal, I. Nezbeda: Pure fluids of homonuclear and heteronuclear square-well
diatomics. I. Computer simulation study. Mol. Phys. 96: 335-347,1999.
110. M. Strnad, I. Nezbeda: An extended Gibbs ensemble. Mol. Simul. 22: 193-198,1999.
111. J. Kolafa, I. Nezbeda: Effect of short- and long-range forces on the structure of water.
II. Orientation ordering and the dielectric constant. Mol. Phys. submitted,2000.
112. Nezbeda, M. Lísal: Effect of short- and long-range forces on the thermodynamic
properties of water. A simple short-range reference system. Mol. Phys. to be
submitted,2000.
113. M. Lísal, W. R. Smith, I. Nezbeda: Molecular simulation of multicomponent reaction
and phase equilibria: reaction-ensemble Monte Carlo (MC) simulation of the MTBE
ternary system. AIChE J.: in press,2000.
114. Nezbeda, K. Aim: A general method improving phase equilibrium calculations from
pressure explicit equations of state. Fluid Phase Equil. to be submitted,2000.
115. M. Strnad, I. Nezbeda: Parallelized sampling of the Gibbs ensemble. Mol. Phys. to be
submitted,2000.
116. M. Lisal, W. R. Smith, I. Nezbeda: Accurate VLE calculations for complex systems
using the reaction Gibbs ensemble Monte Carlo (RGEMC) simulation method. Fluid
Phase Equil. submitted,2000.
117. Nezbeda: Solubility of apolar fluids in water: A simple molecular model and theory.
Fluid Phase Equil. in press,2000.
118. M. Kettler, M. Strnad, I. Nezbeda, H. L. Vörtler: Higher n-alkanes modeled as Kihara
fluids: Coexistence properties from simulation and theory. Fluid Phase Equil.
submitted,2000.
119. Nezbeda: On the role of short- and long-range forces in aqueous systems. J. Mol.
Liquids in press,2000.