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1

Aqueous electrolyte surfaces in strong electric fields: molecular insight into nanoscale jets and bridges

Jirsák, Jan, Moučka, Filip, Škvor, Jiří, Nezbeda, Ivo

Journal:

Molecular Physics

Year:

2015

Language:

english

File:

PDF, 723 KB

english, 2015

2

Partial molar volume of methanol in water: Effect of polarizability

Moučka, Filip, Nezbeda, Ivo

Journal:

Collection of Czechoslovak Chemical Communications

Year:

2009

Language:

english

File:

PDF, 57 KB

english, 2009

3

Recent progress in the molecular simulation of thermodynamic properties of aqueous electrolyte solutions

Smith, William R., Nezbeda, Ivo, Kolafa, Jiří, Moučka, Filip

Journal:

Fluid Phase Equilibria

Year:

2018

Language:

english

File:

PDF, 4.55 MB

english, 2018

4

Molecular simulation of multicomponent reaction and phase equilibria in MTBE ternary system

Martin Lísal, William R. Smith, Ivo Nezbeda

Journal:

Year:

2000

Language:

english

File:

PDF, 152 KB

english, 2000

5

35. Shear modulus of graphite single crystals

D.E Soule, C.W Nezbeda, O.L Blakslee

Journal:

Year:

1968

Language:

english

File:

PDF, 129 KB

english, 1968

6

A new concept for augmented van der Waals equations of state

Ivo Nezbeda, Roman Melnyk, Andrij Trokhymchuk

Journal:

The Journal of Supercritical Fluids

Year:

2010

Language:

english

File:

PDF, 296 KB

english, 2010

7

Molecular Simulation of Aqueous Electrolyte Solubility. 2. Osmotic Ensemble Monte Carlo Methodology for Free Energy and Solubility Calculations and Application to NaCl

Moučka, Filip, Lísal, Martin, Škvor, Jiří, Jirsák, Jan, Nezbeda, Ivo, Smith, William R.

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 1.72 MB

english, 2011

8

Excluded volume versus hydrogen bonding: complementary or incompatible concepts?

Nezbeda, Ivo, Škvor, Jiří

Journal:

Molecular Physics

Year:

2012

Language:

english

File:

PDF, 421 KB

english, 2012

9

Hard oblate spherocylinders: Monte carlo virial coefficients

I. Nezbeda, T. Boublík

Journal:

Czechoslovak Journal of Physics

Year:

1977

Language:

english

File:

PDF, 171 KB

english, 1977

10

Reference system selection and average Mayer-function perturbation theory for molecular fluids

Smith, William R., Nezbeda, Ivo, Melnyk, Theodor W., Fitts, Donald D.

Journal:

Faraday Discussions of the Chemical Society

Year:

1978

Language:

english

File:

PDF, 543 KB

english, 1978

11

Excess properties of aqueous solutions: hard spheres versus pseudo-hard bodies

Rouha, Michael, Nezbeda, Ivo

Journal:

Molecular Physics

Year:

2011

Language:

english

File:

PDF, 342 KB

english, 2011

12

Vapour/liquid coexistence in long-range Yukawa fluids determined by means of an augmented van der Waals approach

Melnyk, Roman, Nezbeda, Ivo, Trokhymchuk, Andrij

Journal:

Molecular Physics

Year:

2011

Language:

english

File:

PDF, 261 KB

english, 2011

13

Parallelized sampling of the Gibbs ensemble

STRNAD, MARTIN, NEZBEDA, IVO

Journal:

Molecular Physics

Year:

2000

Language:

english

File:

PDF, 673 KB

english, 2000

14

Perturbation theories for molecular fluids

Melnyk, Theodor W., Smith, William R., Nezbeda, Ivo

Journal:

Molecular Physics

Year:

1982

Language:

english

File:

PDF, 665 KB

english, 1982

15

The Lennard-Jones Fluid Revisited: Computer Simulation Results

Kolafa, Jiří, Vörtler, Horst L., Aim, Karel, Nezbeda, Ivo

Journal:

Molecular Simulation

Year:

1993

Language:

english

File:

PDF, 879 KB

english, 1993

16

Vapor–Liquid Equilibrium and Polarization Behavior of the GCP Water Model: Gaussian Charge-on-Spring versus Dipole Self-Consistent Field Approaches to Induced Polarization

Chialvo, Ariel A., Moucka, Filip, Vlcek, Lukas, Nezbeda, Ivo

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 1.77 MB

english, 2015

17

Theory of the glass transition and the amorphous state

Nezbeda, Ivo, Smith, William R.

Journal:

Molecular Physics

Year:

1992

Language:

english

File:

PDF, 831 KB

english, 1992

18

WAGNER AUF DER ORGEL - EIN BEITRAG ZUM WAGNER-JAHR?

Nezbeda, Ottokar

Journal:

Österreichische Musikzeitschrift

Year:

1983

Language:

german

File:

PDF, 54 KB

german, 1983

19

Thermodynamics of supersaturated steam: Molecular simulation results

Moučka, Filip, Nezbeda, Ivo

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 429 KB

english, 2016

20

Structure of supercooled water: Polarizable BK3 model versus non-polarizable models

Škvára, Jiří, Moučka, Filip, Nezbeda, Ivo

Journal:

Journal of Molecular Liquids

Year:

2018

Language:

english

File:

PDF, 33.71 MB

english, 2018

21

Integral equation theory for a mixture of spherical and patchy colloids: Analytical description

Kalyuzhnyi, Yurij, Nezbeda, Ivo, Cummings, Peter T

Journal:

Year:

2020

Language:

english

File:

PDF, 3.03 MB

english, 2020

22

Book Review: Cohesion. A Scientific History of Intermolecular Forces. By J. S. Rowlinson

Journal:

Year:

2003

Language:

english

File:

PDF, 37 KB

english, 2003

23

144. Shear strength in single crystal and pyrolytic graphite

D.E Soule, C.W Nezbeda

Journal:

Year:

1965

Language:

english

File:

PDF, 113 KB

english, 1965

24

36. Effect of neutron irradiation on the mechanical properties of single crystal and compression-annealed pyrolytic graphite

O.L Blakslee, C.W Nezbeda, E.J Seidin

Journal:

Year:

1968

Language:

english

File:

PDF, 129 KB

english, 1968

25

Virial expansion and an improved equation of state for the hard convex molecule system

Journal:

Chemical Physics Letters

Year:

1976

Language:

english

File:

PDF, 438 KB

english, 1976

26

Equation of state for hard dumbbells

T. Boublík, I. Nezbeda

Journal:

Chemical Physics Letters

Year:

1977

Language:

english

File:

PDF, 135 KB

english, 1977

27

The ram perturbation theory and the hard dumbbell fluid

Ivo Nezbeda, William R. Smith

Journal:

Chemical Physics Letters

Year:

1979

Language:

english

File:

PDF, 266 KB

english, 1979

28

Computation of the pair correlation function of a repulsive finite-intercept hard-core simple fluid

William R. Smith, Ivo Nezbeda

Journal:

Chemical Physics Letters

Year:

1981

Language:

english

File:

PDF, 315 KB

english, 1981

29

The use of a site-centred coordinate system in the statistical mechanics of site-interaction molecular fluids

Ivo Nezbeda, William R. Smith

Journal:

Chemical Physics Letters

Year:

1981

Language:

english

File:

PDF, 375 KB

english, 1981

30

The RAM perturbation theory for inhomogeneous molecular fluids: Hard dumbbells at a hard wall

William R. Smith, Ivo Nezbeda, M.R. Reddy

Journal:

Chemical Physics Letters

Year:

1984

Language:

english

File:

PDF, 315 KB

english, 1984

31

Can Lennard-Jones particles with four bonding sites realistically model water?

Ivo Nezbeda, Jan Slovák

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 337 KB

english, 1996

32

Perturbed hard sphere equations of state of real liquids. I. Examination of a simple equation of the second order

K. Aim, I. Nezbeda

Journal:

Fluid Phase Equilibria

Year:

1983

Language:

english

File:

PDF, 860 KB

english, 1983

33

Perturbed hard-sphere equations of state of real fluids. II. Effective hard-sphere diameters and residual properties

Ivo Nezbeda, Karel Aim

Journal:

Fluid Phase Equilibria

Year:

1984

Language:

english

File:

PDF, 1.12 MB

english, 1984

34

Perturbed hard sphere equations of state of real fluids—II. Residual parameter ap of non-polar liquids

Ivo Nezbeda, Karel Aim

Journal:

Fluid Phase Equilibria

Year:

1987

Language:

english

File:

PDF, 1.11 MB

english, 1987

35

Thermodynamic properties of the Lennard-Jones fluid. I. Simulation data, rigorous theories and parameterized equations of state

Karel Aim, Ivo Nezbeda

Journal:

Fluid Phase Equilibria

Year:

1989

Language:

english

File:

PDF, 480 KB

english, 1989

36

On the way from theoretical calculations to practical equations of state for real fluids

Ivo Nezbeda, Karel Aim

Journal:

Fluid Phase Equilibria

Year:

1989

Language:

english

File:

PDF, 393 KB

english, 1989

37

Molecular-thermodynamic reference equations of state

Journal:

Fluid Phase Equilibria

Year:

1993

Language:

english

File:

PDF, 1.01 MB

english, 1993

38

The Lennard-Jones fluid revisited: new thermodynamic data and new equation of state

Karel Aim, Jiří Kolafa, Ivo Nezbeda, Horst L. Vörtler

Journal:

Fluid Phase Equilibria

Year:

1993

Language:

english

File:

PDF, 509 KB

english, 1993

39

Application of primitive models of association: A simple theoretical equation of state of water

Ivo Nezbeda, J. Pavlíček

Journal:

Fluid Phase Equilibria

Year:

1996

Language:

english

File:

PDF, 403 KB

english, 1996

40

On the calculation of the critical temperature from the second virial coefficient

Ivo Nezbeda, W.R Smith

Journal:

Fluid Phase Equilibria

Year:

2004

Language:

english

File:

PDF, 66 KB

english, 2004

41

Conformations of homopolymer chains and their phase behavior in a simple supercritical solvent

Martin Lı́sal, Ivo Nezbeda

Journal:

Fluid Phase Equilibria

Year:

2004

Language:

english

File:

PDF, 166 KB

english, 2004

42

Molecular-level computer simulation of a vapor-compression refrigeration cycle

S. Figueroa-Gerstenmaier, M. Francova, M. Kowalski, M. Lisal, I. Nezbeda, W.R. Smith

Journal:

Fluid Phase Equilibria

Year:

2007

Language:

english

File:

PDF, 442 KB

english, 2007

43

Non-Lorentz–Berthelot Lennard-Jones mixtures: A systematic study

Michael Rouha, Ivo Nezbeda

Journal:

Fluid Phase Equilibria

Year:

2009

Language:

english

File:

PDF, 751 KB

english, 2009

44

On the role of the reference system in perturbation theory: An augmented van der Waals theory of simple fluids

Roman Melnyk, Ivo Nezbeda, Douglas Henderson, Andrij Trokhymchuk

Journal:

Fluid Phase Equilibria

Year:

2009

Language:

english

File:

PDF, 1.44 MB

english, 2009

45

Excess properties of aqueous mixtures of methanol: Simple models versus experiment

L. Vlček, I. Nezbeda

Journal:

Journal of Molecular Liquids

Year:

2007

Language:

english

File:

PDF, 251 KB

english, 2007

46

Lower virial coefficients of primitive models of polar and associating fluids

M. Rouha, I. Nezbeda

Journal:

Journal of Molecular Liquids

Year:

2007

Language:

english

File:

PDF, 238 KB

english, 2007

47

Molecular-based equation of state for TIP4P water

J. Jirsák, I. Nezbeda

Journal:

Journal of Molecular Liquids

Year:

2007

Language:

english

File:

PDF, 351 KB

english, 2007

48

Water–methanol mixtures with non-Lorentz–Berthelot combining rules: A feasibility study

Filip Moučka, Ivo Nezbeda

Journal:

Journal of Molecular Liquids

Year:

2011

Language:

english

File:

PDF, 409 KB

english, 2011

49

Role of the range of intermolecular interactions in fluids

Journal:

Current Opinion in Colloid & Interface Science

Year:

2004

Language:

english

File:

PDF, 129 KB

english, 2004

50

Molecular-level Monte Carlo simulation at fixed entropy

William R. Smith, Martin Lísal, Ivo Nezbeda

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 144 KB

english, 2006

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