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1

Voronoi polyhedra analysis of the local structure of water from ambient to supercritical conditions

Jedlovszky, Pál

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 438 KB

english, 1999

2

Adsorption of Poly(ethylene oxide) at the Free Water Surface. A Computer Simulation Study

Darvas, Mária, Gilányi, Tibor, Jedlovszky, Pál

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 964 KB

english, 2010

3

Investigation of the uniqueness of the reverse Monte Carlo method: Studies on liquid water

Jedlovszky, P., Bakó, I., Pálinkás, G., Radnai, T., Soper, A. K.

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 398 KB

english, 1996

4

GM1 Ganglioside Embedded in a Hydrated DOPC Membrane: A Molecular Dynamics Simulation Study

Jedlovszky, Pál, Sega, Marcello, Vallauri, Renzo

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 1.82 MB

english, 2009

5

Free Energy of Mixing of Pyridine and Its Methyl-Substituted Derivatives with Water, As Seen from Computer Simulations

Darvas, Mária, Jedlovszky, Pál, Jancsó, Gábor

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 787 KB

english, 2009

6

Hydration free energy difference of acetone, acetamide, and urea

Jedlovszky, Pál, Idrissi, Abdenacer

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 538 KB

english, 2008

7

Adsorption of Benzaldehyde at the Surface of Ice, Studied by Experimental Method and Computer Simulation

Petitjean, Mélanie, Hantal, György, Chauvin, Coline, Mirabel, Philippe, Le Calvé, Stéphane, Hoang, Paul N. M., Picaud, Sylvain, Jedlovszky, Pál

Journal:

Year:

2010

Language:

english

File:

PDF, 4.15 MB

english, 2010

8

Properties of the Liquid−Vapor Interface of Water−Dimethyl Sulfoxide Mixtures. A Molecular Dynamics Simulation and ITIM Analysis Study

Pojják, Katalin, Darvas, Mária, Horvai, George, Jedlovszky, Pál

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 3.87 MB

english, 2010

9

Can existing models qualitatively describe the mixing behavior of acetone with water?

Jedlovszky, Pál, Idrissi, Abdenacer, Jancsó, Gábor

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 759 KB

english, 2009

10

Structural and thermodynamic properties of different phases of supercooled liquid water

Jedlovszky, Pál, Pártay, Lívia B., Bartók, Albert P., Voloshin, Vladimir P., Medvedev, Nikolai N., Garberoglio, Giovanni, Vallauri, Renzo

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 500 KB

english, 2008

11

Molecular Level Properties of the Water−Dichloromethane Liquid/Liquid Interface, as Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis

Hantal, György, Terleczky, Péter, Horvai, George, Nyulászi, László, Jedlovszky, Pál

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 3.96 MB

english, 2009

12

Temperature and Pressure Dependence of the Properties of the Liquid−Liquid Interface. A Computer Simulation and Identification of the Truly Interfacial Molecules Investigation of the Water−Benzene System

Pártay, Lívia B., Horvai, George, Jedlovszky, Pál

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 3.08 MB

english, 2010

13

Solvation Free Energy Profile of the SCN – Ion across the Water–1,2-Dichloroethane Liquid/Liquid Interface. A Computer Simulation Study

Darvas, Mária, Jorge, Miguel, D. S. Cordeiro, M. Natalia, Jedlovszky, Pál

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 2.17 MB

english, 2011

14

Orientational correlation in liquid and amorphous carbon tetrachloride: A reverse Monte Carlo study

Jedlovszky, Pál

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 414 KB

english, 1997

15

A Critical Assessment of Methods for the Intrinsic Analysis of Liquid Interfaces. 1. Surface Site Distributions

Jorge, Miguel, Jedlovszky, Pál, Cordeiro, M. Natália D. S.

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 1.50 MB

english, 2010

16

Water in Contact with Magnetite Nanoparticles, as Seen from Experiments and Computer Simulations

Tombácz, Etelka, Hajdú, Angéla, Illés, Erzsébet, László, Krisztina, Garberoglio, Giovanni, Jedlovszky, Pál

Journal:

Year:

2009

Language:

english

File:

PDF, 1.90 MB

english, 2009

17

Counterion Binding in the Aqueous Solutions of Bile Acid Salts, as Studied by Computer Simulation Methods

Pártay, Lívia B., Sega, Marcello, Jedlovszky, Pál

Journal:

Year:

2008

Language:

english

File:

PDF, 694 KB

english, 2008

18

A Critical Assessment of Methods for the Intrinsic Analysis of Liquid Interfaces: 2. Density Profiles

Jorge, Miguel, Hantal, György, Jedlovszky, Pál, Cordeiro, M. Natália D. S.

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 2.03 MB

english, 2010

19

Structure of the Liquid−Vapor Interface of Water−Acetonitrile Mixtures As Seen from Molecular Dynamics Simulations and Identification of Truly Interfacial Molecules Analysis

Pártay, Lívia B., Jedlovszky, Pál, Horvai, George

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 3.11 MB

english, 2009

20

Surface Hydrophilicity-Dependent Water Adsorption on Mixed Self-Assembled Monolayers of C 7 –CH 3 and C 7 –COOH Residues. A Grand Canonical Monte Carlo Simulation Study

Szöri, Milán, Roeselová, Martina, Jedlovszky, Pál

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 3.74 MB

english, 2011

21

A Critical Assessment of Methods for the Intrinsic Analysis of Liquid Interfaces. 1. Surface Site Distributions

Jorge, Miguel, Jedlovszky, Pál, Cordeiro, M. Natália D. S.

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 26 KB

english, 2010

22

The local structure of various hydrogen bonded liquids: Voronoi polyhedra analysis of water, methanol, and HF

Jedlovszky, Pál

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 344 KB

english, 2000

23

Free volume properties of a linear soft polymer: A computer simulation study

Sega, Marcello, Jedlovszky, Pál, Medvedev, Nikolai N., Vallauri, Renzo

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 301 KB

english, 2004

24

Thermodynamic and structural properties of liquid water around the temperature of maximum density in a wide range of pressures: A computer simulation study with a polarizable potential model

Jedlovszky, Pál, Vallauri, Renzo

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 417 KB

english, 2001

25

New insight into the orientational order of water molecules at the water/1,2-dichloroethane interface: A Monte Carlo simulation study

Jedlovszky, Pál, Vincze, Árpád, Horvai, George

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 564 KB

english, 2002

26

Line of percolation in supercritical water

Pártay, Lívia, Jedlovszky, Pál

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 343 KB

english, 2005

27

Comparison of polarizable and nonpolarizable models of hydrogen fluoride in liquid and supercritical states: A Monte Carlo simulation study

Jedlovszky, Pál, Mezei, Mihaly, Vallauri, Renzo

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 371 KB

english, 2001

28

Liquid–vapor and liquid–liquid phase equilibria of the Brodholt–Sampoli–Vallauri polarizable water model

Jedlovszky, Pál, Vallauri, Renzo

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 287 KB

english, 2005

29

Structural study of liquid methylene chloride with reverse Monte Carlo simulation

Jedlovszky, Pál

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 429 KB

english, 1997

30

Adsorption of 1-octanol at the free water surface as studied by Monte Carlo simulation

Jedlovszky, Pál, Varga, Imre, Gilányi, Tibor

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 1.01 MB

english, 2004

31

Structure of the nonionic surfactant triethoxy monooctylether C[sub 8]E[sub 3] adsorbed at the free water surface, as seen from surface tension measurements and Monte Carlo simulations

Paszternák, András, Kiss, Éva, Jedlovszky, Pál

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 462 KB

english, 2005

32

Reverse Monte Carlo analysis of neutron diffraction results: Water around its critical point

Jedlovszky, Pál, Vallauri, Renzo

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 366 KB

english, 1996

33

Computer simulation study of liquid CH[sub 2]F[sub 2] with a new effective pair potential model

Jedlovszky, Pál, Mezei, Mihaly

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 475 KB

english, 1999

34

Development of a new polarizable potential model of hydrogen fluoride and comparison with other effective models in liquid and supercritical states

Pártay, Lívia, Jedlovszky, Pál, Vallauri, Renzo

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 413 KB

english, 2006

35

Adsorption of apolar molecules at the water liquid–vapor interface: A Monte Carlo simulations study of the water-n-octane system

Jedlovszky, Pál, Varga, Imre, Gilányi, Tibor

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 777 KB

english, 2003

36

Molecular dynamics simulation and identification of the truly interfacial molecules (ITIM) analysis of the liquid-vapor interface of dimethyl sulfoxide

Darvas, Mária, Pojják, Katalin, Horvai, George, Jedlovszky, Pál

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.42 MB

english, 2010

37

Computer simulations of liquid HF by a newly developed polarizable potential model

Jedlovszky, Pál, Vallauri, Renzo

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 424 KB

english, 1997

38

Comparison of different water models from ambient to supercritical conditions: A Monte Carlo simulation and molecular Ornstein–Zernike study

Jedlovszky, Pál, Richardi, Johannes

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 440 KB

english, 1999

39

Grand canonical ensemble Monte Carlo simulation of a lipid bilayer using extension biased rotations

Jedlovszky, Pál, Mezei, Mihaly

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 347 KB

english, 1999

40

Surface properties of the polarizable Baranyai-Kiss water model

Kiss, Péter, Darvas, Mária, Baranyai, András, Jedlovszky, Pál

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.09 MB

english, 2012

41

Water adsorption isotherms on porous onionlike carbonaceous particles. Simulations with the grand canonical Monte Carlo method

Hantal, György, Picaud, Sylvain, Hoang, Paul N. M., Voloshin, Vladimir P., Medvedev, Nikolai N., Jedlovszky, Pál

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 3.15 MB

english, 2010

42

Structure of coexisting liquid phases of supercooled water: Analogy with ice polymorphs

Jedlovszky, Pál, Pártay, Lívia B., Bartók, Albert P., Garberoglio, Giovanni, Vallauri, Renzo

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 288 KB

english, 2007

43

The generalized identification of truly interfacial molecules (ITIM) algorithm for nonplanar interfaces

Sega, Marcello, Kantorovich, Sofia S., Jedlovszky, Pál, Jorge, Miguel

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.08 MB

english, 2013

44

Response to “Comment on ‘Can existing models qualitatively describe the mixing behavior of acetone-water mixtures?’”

Jedlovszky, Pál, Idrissi, Abdenacer, Jancsó, Gábor

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 384 KB

english, 2009

45

Erratum: Reverse Monte Carlo analysis of neutron diffraction results: Water around its critical point [J. Chem. Phys. 105, 2391 (1996)]

Jedlovszky, Pál, Vallauri, Renzo

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 352 KB

english, 1997

46

Contribution of the two liquid phases to the interfacial tension at various water-organic liquid-liquid interfaces

Hantal, GyÃ¶rgy, FÃ¡biÃ¡n, BalÃ¡zs, Sega, Marcello, Jedlovszky, PÃ¡l

Journal:

Journal of Molecular Liquids

Year:

2020

Language:

english

File:

PDF, 1.01 MB

english, 2020

47

Computer Simulation Investigation of the Adsorption of Cyanamide on Amorphous Ice at Low Temperatures

Jedlovszky, PÃ¡l, HorvÃ¡th, RÃ©ka A., SzÅri, MilÃ¡n

Journal:

The Journal of Physical Chemistry C

Year:

2020

File:

PDF, 1.29 MB

2020

48

Role of the Counterions in the Surface Tension of Aqueous Surfactant Solutions. A Computer Simulation Study of Alkali Dodecyl Sulfate Systems

Hantal, GyÃ¶rgy, Sega, Marcello, Horvai, George, Jedlovszky, PÃ¡l

Journal:

Colloids and Interfaces

Year:

2020

File:

PDF, 2.78 MB

2020

49

Surface Affinity of Alkali and Halide Ions in Their Aqueous Solution: Insight from Intrinsic Density Analysis

Hantal, GyÃ¶rgy, HorvÃ¡th, RÃ©ka A., Kolafa, JiÅÃ, Sega, Marcello, Jedlovszky, PÃ¡l

Journal:

Journal of Physical Chemistry B

Year:

2020

File:

PDF, 4.46 MB

2020

50

Voronoi Polyhedra as a Tool for the Characterization of Inhomogeneous Distribution in 1-Butyl-3-methylimidazolium Cation-Based Ionic Liquids

Koverga, Volodymyr, Maity, Nishith, Miannay, FranÃ§ois Alexandre, Kalugin, Oleg N., Juhasz, Akos, ÅwiÄtek, Adam, Polok, Kamil, Takamuku, Toshiyuki, Jedlovszky, PÃ¡l, Idrissi, Abdenacer

Journal:

Journal of Physical Chemistry B

Year:

2020

File:

PDF, 3.74 MB

2020