Items where Author is "Jedlovszky, Pál"

Article

Hantal, György and Sega, Marcello and Horvai, György and Jedlovszky, Pál (2021) Contribution of Different Molecules and Moieties to the Surface Tension in Aqueous Surfactant Solutions. II: Role of the Size and Charge Sign of the Counterions. THE JOURNAL OF PHYSICAL CHEMISTRY B : A JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. pp. 1-45. ISSN 1520-6106 (print); 1520-5207 (online)

Fábián, Balázs and Horvai, György and Idrissi, Abdenacer and Jedlovszky, Pál (2021) Structure and Single Particle Dynamics of the Vapour-Liquid Interface of Acetone-CO2 Mixtures. JOURNAL OF MOLECULAR LIQUIDS : STRUCTURE, INTERACTIONS AND DYNAMICS OF SIMPLE, MOLECULAR, IONIC AND COMPLEX LIQUIDS. pp. 1-50. ISSN 0167-7322 (print); 1873-3166 (online)

Horváth, Réka A. and Horvai, György and Idrissi, Abdenacer and Jedlovszky, Pál (2020) Thermodynamics of Mixing Methanol with Supercritical CO2 as Seen from Computer Simulations and Thermodynamic Integration. PHYSICAL CHEMISTRY CHEMICAL PHYSICS. pp. 1-34. ISSN 1463-9076 (print); 1463-9084 (online)

Kiss, Bálint Gábor and Picaud, Sylvain and Szőri, Milán and Jedlovszky, Pál (2019) Adsorption of Formamide at the Surface of Amorphous and Crystalline Ices under Interstellar and Tropospheric Conditions. A Grand Canonical Monte Carlo Simulation Study. JOURNAL OF PHYSICAL CHEMISTRY A, 123. pp. 3398-3412. ISSN 1089-5639

Hantal, György and Sega, Marcello and Horvai, György and Jedlovszky, Pál (2019) Contribution of Different Molecules and Moieties to the Surface Tension in Aqueous Surfactant Solutions. THE JOURNAL OF PHYSICAL CHEMISTRY C : A JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. pp. 1-36. ISSN 1932-7447 (print); 1932-7455 (online)

Horváth, Réka A. and Fábián, Balázs and Szőri, Milán and Jedlovszky, Pál (2019) Investigation of the liquid-vapour interface of aqueous methylamine solutions by computer simulation methods. JOURNAL OF MOLECULAR LIQUIDS, 288. pp. 1-45. ISSN 0167-7322

Fábián, Balázs and Horvai, György and Sega, Marcello and Jedlovszky, Pál (2019) Single Particle Dynamics at the Liquid–Liquid Interface. Molecular Dynamics Simulation Study of the Water-CCl4 System. THE JOURNAL OF PHYSICAL CHEMISTRY C : A JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. pp. 1-38. ISSN 1932-7447 (print); 1932-7455 (online)

Fábián, Balázs and Horvai, György and Idrissi, Abdenacer and Jedlovszky, Pál (2019) Vapour-Liquid Equilibrium of Acetone-CO2 Mixtures of Different Compositions at the Vicinity of the Critical Point. JOURNAL OF CO2 UTILIZATION. pp. 1-27. ISSN 2212-9820 (print); 2212-9839 (online)

Horváth, Réka and Hantal, György and Picaud, Sylvain and Szőri, Milán and Jedlovszky, Pál (2018) Adsorption of Methylamine on Amorphous Ice under Interstellar Conditions. A Grand Canonical Monte Carlo Simulation Study. JOURNAL OF PHYSICAL CHEMISTRY A, 122 (13). pp. 3398-3412. ISSN 1089-5639

Kiss, Bálint Gábor and Fábián, Balázs and Idrissi, Abdenacer and Szőri, Milán and Jedlovszky, Pál (2018) Investigation of the Liquid–Vapor Interface of Water–Formamide Mixtures by Computer Simulation and Intrinsic Surface Analysis. JOURNAL OF PHYSICAL CHEMISTRY C, 122 (34). pp. 19639-19651. ISSN 1932-7447

Fábián, Balázs and Imre, Attila and Horvai, György and Jedlovszky, Pál (2018) Laterális nyomásprofil számításával összefüggő problémák vizsgálata számítógépes szimulációval. MAGYAR KÉMIAI FOLYÓIRAT - KÉMIAI KÖZLEMÉNYEK (1997-), 124 (4). pp. 157-164. ISSN 1418-9933

Korcsok, Kitti and Szőri, Milán and Fábián, Balázs and Picaud, Sylvain and Jedlovszky, Pál and Viskolcz, Béla (2018) Multiscale Modeling of Interfacial Oxidation Mechanism at Air/Organic Interface: Reactions of CH2═CH-Terminated Self-Assembled Monolayer with OH•, O3, and HO2•. JOURNAL OF PHYSICAL CHEMISTRY C, 122 (18). pp. 9886-9898. ISSN 1932-7447

Sega, Marcello and Horvai, György and Jedlovszky, Pál (2018) On the Calculation of the Surface Entropy in Computer Simulation. JOURNAL OF MOLECULAR LIQUIDS : STRUCTURE, INTERACTIONS AND DYNAMICS OF SIMPLE, MOLECULAR, IONIC AND COMPLEX LIQUIDS. pp. 1-23. ISSN 0167-7322 (print); 1873-3166 (online)

Sumi, Ildikó Katalin and Picaud, Sylvain and Jedlovszky, Pál (2017) Adsorption of Chlorinated Methane Derivatives at the Ice Surface. A Grand Canonical Monte Carlo Simulation Study. JOURNAL OF PHYSICAL CHEMISTRY C, 121 (14). pp. 7782-7793. ISSN 1932-7447

Radola, B. and Picaud, S. and Vardanega, D. and Jedlovszky, Pál (2017) Analysis of Mixed Formic and Acetic Acid Aggregates Interacting With Water: A Molecular Dynamics Simulation Study. JOURNAL OF PHYSICAL CHEMISTRY C, 121 (25). pp. 13863-13875. ISSN 1932-7447

Sumi, Ildikó Katalin and Picaud, Sylvain and Jedlovszky, Pál (2017) Dependence of the adsorption of halogenated methane derivatives at the ice surface on their chemical structure. JOURNAL OF MOLECULAR LIQUIDS, 245. pp. 17-26. ISSN 0167-7322

Kiss, Bálint and Fábián, Balázs and Idrissi, Abdenacer and Szőri, Milán and Jedlovszky, Pál (2017) Erratum to: Miscibility and Thermodynamics of Mixing of Different Models of Formamide and Water in Computer Simulation. JOURNAL OF PHYSICAL CHEMISTRY B, 121 (39). p. 9319. ISSN 1520-6106

Fábián, Balázs and Sega, Marcello and Voloshin, Vladimir P. and Medvedev, Nikolai N. and Jedlovszky, Pál (2017) Lateral Pressure Profile and Free Volume Properties in Phospholipid Membranes Containing Anesthetics. JOURNAL OF PHYSICAL CHEMISTRY B - CONDENSED MATTER MATERIALS SURFACES INTERFACES AND BIOPHYSICAL, 121 (13). pp. 2814-2824. ISSN 1520-6106

Idrissi, Abdenacer and Marekha, Bogdan and Barj, Mohamed and Miannay, Francois Alexandre and Takamuku, Toshiyuki and Jedlovszky, Pál (2017) Local structure of dilute aqueous DMSO solutions, as seen from molecular dynamics simulations. JOURNAL OF CHEMICAL PHYSICS, 146 (23). pp. 1-13. ISSN 0021-9606

Kiss, Bálint Gábor and Fábián, Balázs and Abdenacer, Isrissi and Szőri, Milán and Jedlovszky, Pál (2017) Miscibility and Thermodynamics of Mixing of Different Models of Formamide and Water in Computer Simulation. JOURNAL OF PHYSICAL CHEMISTRY B - CONDENSED MATTER MATERIALS SURFACES INTERFACES AND BIOPHYSICAL, 121 (29). pp. 7147-7155. ISSN 1520-6106

Sega, Marcello and Fábián, Balázs and Jedlovszky, Pál (2017) Nonzero Ideal Gas Contribution to the Surface Tension of Water. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 8 (12). pp. 2608-2612. ISSN 1948-7185

Sega, M. and Fábián, Balázs and Imre, Attila and Jedlovszky, Pál (2017) Relation between the Liquid Spinodal Pressure and the Lateral Pressure Profile at the Liquid-Vapor Interface. JOURNAL OF PHYSICAL CHEMISTRY C, 121 (22). pp. 12214-12219. ISSN 1932-7447

Fábián, Balázs and Sega, Marcello and Horvai, György and Jedlovszky, Pál (2017) Single Particle Dynamics at the Intrinsic Surface of Various Apolar, Aprotic Dipolar, and Hydrogen Bonding Liquids As Seen from Computer Simulations. JOURNAL OF PHYSICAL CHEMISTRY B - CONDENSED MATTER MATERIALS SURFACES INTERFACES AND BIOPHYSICAL, 121 (22). pp. 5582-5594. ISSN 1520-6106

Sumi, Ildikó Katalin and Fábián, Balázs and Picaud, Sylvain and Jedlovszky, Pál (2016) Adsorption of Fluorinated Methane Derivatives at the Surface of Ice under Tropospheric Conditions, As Seen from Grand Canonical Monte Carlo Simulations. JOURNAL OF PHYSICAL CHEMISTRY C, 120 (31). pp. 17386-17399. ISSN 1932-7447

Szentirmai, Veronika and Szőri, Milán and Picaud, Sylvain and Jedlovszky, Pál (2016) Adsorption of Methylamine at the Surface of Ice. A Grand Canonical Monte Carlo Simulation Study. JOURNAL OF PHYSICAL CHEMISTRY C, 120 (41). pp. 23480-23489. ISSN 1932-7447

Fábián, Balázs and Senćanski, Milan V. and Cvijetić, Ilija N. and Jedlovszky, Pál and Horvai, György (2016) Dynamics of the Water Molecules at the Intrinsic Liquid Surface As Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis. JOURNAL OF PHYSICAL CHEMISTRY C, 120 (16). pp. 8578-8588. ISSN 1932-7447

Sega, Marcello and Fábián, Balázs and Horvai, György and Jedlovszky, Pál (2016) How Is the Surface Tension of Various Liquids Distributed along the Interface Normal? JOURNAL OF PHYSICAL CHEMISTRY C, 120. pp. 27468-27477. ISSN 1932-7447

Marekha, Bogdan and Koverga, Volodymyr A. and Chesneau, Erwan and Kalugin, Oleg N. and Takamuku, Toshiyuki and Jedlovszky, Pál (2016) Local Structure in Terms of Nearest-Neighbor Approach in 1-Butyl-3-methylimidazolium-Based Ionic Liquids: MD Simulations. JOURNAL OF PHYSICAL CHEMISTRY B - CONDENSED MATTER MATERIALS SURFACES INTERFACES AND BIOPHYSICAL, 120 (22). pp. 5029-5041. ISSN 1520-6106

Fábián, Balázs and Idrissi, Abdenacer and Marekha, Bogdan and Jedlovszky, Pál (2016) Local lateral environment of the molecules at the surface of DMSO-water mixtures. Journal of Physics: Condensed Matter, 28 (40). p. 404002. ISSN 0953-8984

Fábián, Balázs and Jójárt, Balázs and Horvai, György and Jedlovszky, Pál (2015) Properties of the Liquid-Vapor Interface of Acetone-Water Mixtures. A Computer Simulation and ITIM Analysis Study. JOURNAL OF PHYSICAL CHEMISTRY C, 119 (22). pp. 12473-12487. ISSN 1932-7447

Idrissi, Abdenacer and Hantal, György and Jedlovszky, Pál (2015) Properties of the liquid-vapor interface of acetone-methanol mixtures, as seen from computer simulation and ITIM surface analysis. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 17 (14). pp. 8913-8926. ISSN 1463-9076

Sumi, Ildikó and Picaud, Sylvain and Jedlovszky, Pál (2015) Adsorption of Methylene Fluoride and Methylene Chloride at the Surface of Ice under Tropospheric Conditions: A Grand Canonical Monte Carlo Simulation Study. JOURNAL OF PHYSICAL CHEMISTRY C, 119 (30). pp. 17243-17252. ISSN 1932-7447

Sega, Marcello and Fábián, Balázs and Jedlovszky, Pál (2015) Layer-by-layer and intrinsic analysis of molecular and thermodynamic properties across soft interfaces. JOURNAL OF CHEMICAL PHYSICS, 143 (11). pp. 1-9. ISSN 0021-9606

Radola, Bastien and Picaud, Sylvain and Vardanega, Delphine and Jedlovszky, Pál (2015) Molecular Dynamics Simulations of the Interaction between Water Molecules and Aggregates of Acetic or Propionic Acid Molecules. Journal of Physical Chemistry B, 119 (51). pp. 15662-15674. ISSN 1520-6106, ESSN: 1520-5207

Jedlovszky, Pál and Jójárt, Balázs and Horvai, György (2015) Properties of the intrinsic surface of liquid acetone, as seen from computer simulations. Molecular Physics, 113 (9-10). pp. 985-996. ISSN 0026-8976, ESSN: 1362-3028

Abrankó-Rideg, Nóra and Horvai, György and Jedlovszky, Pál (2015) Structure of the adsorption layer of various ionic and non-ionic surfactants at the free water surface, as seen from computer simulation and ITIM analysis. JOURNAL OF MOLECULAR LIQUIDS, 205. pp. 9-15. ISSN 0167-7322

Fábián, Balázs and Darvas, Mária and Picaud, Sylvain and Sega, Marcello and Jedlovszky, Pál (2015) The effect of anaesthetics on the properties of a lipid membrane in the biologically relevant phase: A computer simulation study. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 17 (22). pp. 14750-14760. ISSN 1463-9076

Idrissi, Abdenacer and Marekha, Bogdan and Kiselev, M. and Jedlovszky, Pál (2015) The local environment of the molecules in water-DMSO mixtures, as seen from computer simulations and Voronoi polyhedra analysis. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 17 (5). pp. 3470-3481. ISSN 1463-9076

Sega, Marcello and Horvai, György and Jedlovszky, Pál (2014) Microscopic origin of the surface tension anomaly of water. LANGMUIR, 30. pp. 2969-2972. ISSN 0743-7463

Picaud, Sylvain and Jedlovszky, Pál (2014) Adsorption of H2O2 at the surface of Ih ice, as seen from grand canonical Monte Carlo simulations. CHEMICAL PHYSICS LETTERS, 600. pp. 73-78. ISSN 0009-2614

Szőri, Milán and Jedlovszky, Pál (2014) Adsorption of HCN at the Surface of Ice : A Grand Canonical Monte Carlo Simulation Study. JOURNAL OF PHYSICAL CHEMISTRY C - NANOMATERIALS AND INTERFACES, 118 (7). pp. 3599-3609. ISSN 1932-7447

Darvas, Mária and Jorge, Miguel and Cordeiro, M. Natalia D. S. and Jedlovszky, Pál (2014) Calculation of the intrinsic solvation free energy profile of methane across a liquid/liquid interface in computer simulations. JOURNAL OF MOLECULAR LIQUIDS, 189. pp. 39-43. ISSN 0167-7322

Fábián, Balázs and Szőri, Milán and Jedlovszky, Pál (2014) Floating Patches of HCN at the Surface of Their Aqueous Solutions - Can They Make "HCN World" Plausible? JOURNAL OF PHYSICAL CHEMISTRY C - NANOMATERIALS AND INTERFACES, 118 (37). pp. 21469-21482. ISSN 1932-7447

Szilágyiné Kertész, Júlia and Darvas, Mária and Jedlovszky, Pál and Horvai, György (2014) Reprint of “Role of the fluidity of a liquid phase in determining the surface properties of the opposite phase”. JOURNAL OF MOLECULAR LIQUIDS, 189. pp. 122-128. ISSN 0167-7322

Dorkó, Zsanett and Tóth, Blanka and Horváth, Viola and Jedlovszky, Pál and Horvai, György (2014) Szelektivitás az analitikai kémiában. MAGYAR KÉMIAI FOLYÓIRAT - KÉMIAI KÖZLEMÉNYEK, 120 (1). pp. 4-9. ISSN 1418-9933

Idrissi, Abdenacer and Marekha, Bogdan and Barj, Mohamed and Jedlovszky, Pál (2014) Thermodynamics of Mixing Water with Dimethyl Sulfoxide, as Seen from Computer Simulations. JOURNAL OF PHYSICAL CHEMISTRY B - CONDENSED MATTER MATERIALS SURFACES INTERFACES AND BIOPHYSICAL, 118 (29). pp. 8724-8733. ISSN 1520-6106

Sega, Marcello and Horvai, György and Jedlovszky, Pál (2014) Two-dimensional percolation at the free water surface and its relation with the surface tension anomaly of water. JOURNAL OF CHEMICAL PHYSICS, 141 (5). 054707. ISSN 0021-9606

Meszar, Z. E. and Hantal, G. and Picaud, S. and Jedlovszky, Pál (2013) Adsorption of Aromatic Hydrocarbon Molecules at the Surface of Ice, As Seen by Grand Canonical Monte Carlo Simulation. JOURNAL OF PHYSICAL CHEMISTRY C - NANOMATERIALS AND INTERFACES, 117 (13). pp. 6719-6729. ISSN 1932-7447

Darvas, Mária and Jorge, Miguel and Cordeiro, M. Natalia D. S. and Jedlovszky, Pál (2013) Calculation of the Intrinsic Solvation Free Energy Profile of an Ionic Penetrant Across a Liquid–Liquid Interface with Computer Simulations. JOURNAL OF PHYSICAL CHEMISTRY B - CONDENSED MATTER MATERIALS SURFACES INTERFACES AND BIOPHYSICAL, 117 (50). pp. 16148-16156. ISSN 1520-6106

Idrissi, Abdenacer and Polok, Kamil and Barj, Mohammed and Jedlovszky, Pál (2013) Free Energy of Mixing of Acetone and Methanol: A Computer Simulation Investigation. JOURNAL OF PHYSICAL CHEMISTRY B - CONDENSED MATTER MATERIALS SURFACES INTERFACES AND BIOPHYSICAL, 117 (50). pp. 16157-16164. ISSN 1520-6106

Abrankó-Rideg, Nóra and Darvas, Mária and Horvai, György and Jedlovszky, Pál (2013) Immersion depth of surfactants at the free water surface: A computer simulation and ITIM analysis study. JOURNAL OF PHYSICAL CHEMISTRY B - CONDENSED MATTER MATERIALS SURFACES INTERFACES AND BIOPHYSICAL, 117 (29). pp. 8733-8746. ISSN 1520-6106

Jedlovszky, Pál and Darvas, M. and Picaud, Sylvain (2013) Molecular dynamics simulations of the water adsorption around malonic acid aerosol models. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 15 (26). pp. 10942-10951. ISSN 1463-9076

Jedlovszky, Pál and Darvas, Mária and Horvai, György (2013) Relation between the Surface Tension and Roughness of the Intrinsic Liquid Surface. ZEITSCHRIFT FÜR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 68 (1-2). pp. 123-129. ISSN 0932-0784

Sega, M. and Kantorovich, S.S. and Jedlovszky, Pál and Jorge, M. (2013) The generalized identification of truly interfacial molecules (ITIM) algorithm for nonplanar interfaces. JOURNAL OF CHEMICAL PHYSICS, 138 (4). ISSN 0021-9606

Monograph

Jedlovszky, Pál and Mészáros, Róbert and Varga, Imre (2009) Amfipatikus molekulák agregációjának vizsgálata = Investigation of the aggregation properties of amphiphilic molecules. Project Report. OTKA.

Gilányi, Tibor and Jedlovszky, Pál and Mészáros, Róbert and Varga, Imre and Vass, Szabolcs (2007) Ionos tenzidek adszorpciója és önasszociációja vizes oldatokban = Adsorption and self-association of ionic surfactants in aqueous solutions. Project Report. OTKA.