Collect. Czech. Chem. Commun. 2008, 73, 481-506

Handling Electrostatic Interactions in Molecular Simulations: A Systematic Study

Jiří Kolafaa, Filip Moučkab and Ivo Nezbedab,c,*

a Department of Physical Chemistry, Institute of Chemical Technology, Prague, 166 28 Prague 6, Czech Republic
b Faculty of Science, J. E. Purkinje University, 400 96 Ústí nad Labem, Czech Republic
c E. Hála Laboratory of Thermodynamics, Institute of Chemical Process Fundamentals, Academy of Sciences of the Czech Republic, 165 02 Prague 6, Czech Republic

Individual author index pages

Other CCCC articles of these authors

  • Magda Francová, Anatol Malijevský*, Stanislav Labík and Jiří Kolafa
    An accurate analytical representation of the bridge function of hard spheres and a question of existence of a general closure to the Ornstein–Zernike equation
    2011, Vol. 76, Issue 1, pp. 51–64 [Abstract]
  • Jan Jirsák* and Ivo Nezbeda
    A note on scenarios of metastable water
    2010, Vol. 75, Issue 5, pp. 593–605 [Abstract]
  • Milan Předota*, Ivo Nezbeda and Stanislav Pařez
    Coarse-grained potential for interaction with a spherical colloidal particle and planar wall
    2010, Vol. 75, Issue 5, pp. 527–545 [Abstract]
  • William R. Smith*, Magda Francová, Marian Kowalski and Ivo Nezbeda
    Refrigeration cycle design for refrigerant mixtures by molecular simulation
    2010, Vol. 75, Issue 4, pp. 383–391 [Abstract]
  • Karel Matas* and Jiří Kolafa
    Molecular dynamics simulations of aqueous solutions of ionic liquids
    2010, Vol. 75, Issue 3, pp. 333–348 [Abstract]
  • Filip Moučka and Ivo Nezbeda*
    Partial molar volume of methanol in water: Effect of polarizability
    2009, Vol. 74, Issue 4, pp. 559–563 [Abstract]
  • Jan Jirsák* and Ivo Nezbeda
    Fluid of Hard Spheres with a Modified Dipole: Simulation and Theory
    2008, Vol. 73, Issue 4, pp. 541–557 [Abstract]
  • Michael Rouha*, Filip Moučka and Ivo Nezbeda
    The Effect of Cross Interactions on Mixing Properties: Non-Lorentz-Berthelot Lennard-Jones Mixtures
    2008, Vol. 73, Issue 4, pp. 533–540 [Abstract]
  • Jiří Kolafa
    A Polarizable Three-Site Water Model with Intramolecular Polarizability
    2008, Vol. 73, Issue 4, pp. 507–517 [Abstract]
  • Pavel Morávek, Jiří Kolafa* and Magda Francová
    Fluids of Hard Nonspherical Molecules. II. Monte Carlo Data and Equation of State
    2008, Vol. 73, Issue 4, pp. 459–480 [Abstract]
  • Magda Francová, Jiří Kolafa*, Pavel Morávek, Stanislav Labík and Anatol Malijevský
    Fluids of Hard Nonspherical Molecules. I. Higher Virial Coefficients
    2008, Vol. 73, Issue 3, pp. 413–423 [Abstract]
  • Jiří Škvor* and Ivo Nezbeda
    On Universality of the Wrapping Percolation Transition
    2008, Vol. 73, Issue 3, pp. 401–412 [Abstract]
  • Ivo Nezbeda, Stanislav Labík and Anatol Malijevský
    Structure of hard body fluids. A critical compilation of selected computer simulation data
    1989, Vol. 54, Issue 5, pp. 1137–1202 [Abstract]
  • Tomáš Boublík and Ivo Nezbeda
    P-V-T behaviour of hard body fluids. Theory and experiment
    1986, Vol. 51, Issue 11, pp. 2301–2432 [Abstract]
  • Ivo Nezbeda, Jan Pavlíček and Stanislav Labík
    Thermodynamic properties of pure hard sphere, spherocylinder and dumbell fluids
    1979, Vol. 44, Issue 12, pp. 3555–3565 [Abstract]