Gyorgy Hantal
Gyorgy Hantal
University of Natural Resources (BOKU) Vienna
Adresse e-mail validée de boku.ac.at
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A new method for determining the interfacial molecules and characterizing the surface roughness in computer simulations. Application to the liquid–vapor interface of water
LB Pártay, G Hantal, P Jedlovszky, Á Vincze, G Horvai
Journal of computational chemistry 29 (6), 945-956, 2008
1412008
A systematic molecular simulation study of ionic liquid surfaces using intrinsic analysis methods
G Hantal, I Voroshylova, MNDS Cordeiro, M Jorge
Physical Chemistry Chemical Physics 14 (15), 5200-5213, 2012
542012
Adsorption isotherm of formic acid on the surface of ice, as seen from experiments and grand canonical Monte Carlo simulation
P Jedlovszky, G Hantal, K Neuróhr, S Picaud, PNM Hoang, ...
The Journal of Physical Chemistry C 112 (24), 8976-8987, 2008
522008
Molecular level properties of the free water surface and different organic liquid/water interfaces, as seen from ITIM analysis of computer simulation results
G Hantal, M Darvas, LB Pártay, G Horvai, P Jedlovszky
Journal of Physics: Condensed Matter 22 (28), 284112, 2010
482010
A critical assessment of methods for the intrinsic analysis of liquid interfaces: 2. Density profiles
M Jorge, G Hantal, P Jedlovszky, MNDS Cordeiro
The Journal of Physical Chemistry C 114 (43), 18656-18663, 2010
472010
What does an ionic liquid surface really look like? Unprecedented details from molecular simulations
G Hantal, MNDS Cordeiro, M Jorge
Physical Chemistry Chemical Physics 13 (48), 21230-21232, 2011
452011
Molecular level properties of the water− dichloromethane liquid/liquid interface, as seen from molecular dynamics simulation and identification of truly interfacial molecules …
G Hantal, P Terleczky, G Horvai, L Nyulászi, P Jedlovszky
The Journal of Physical Chemistry C 113 (44), 19263-19276, 2009
392009
Investigation of the adsorption behaviour of acetone at the surface of ice. A grand canonical Monte Carlo simulation study
G Hantal, P Jedlovszky, PNM Hoang, S Picaud
Physical Chemistry Chemical Physics 10 (42), 6369-6380, 2008
382008
Counterion and surface density dependence of the adsorption layer of ionic surfactants at the vapor-aqueous solution interface: a computer simulation study
G Hantal, LB Pártay, I Varga, P Jedlovszky, T Gilányi
The Journal of Physical Chemistry B 111 (7), 1769-1774, 2007
372007
Atomic-scale modelling of elastic and failure properties of clays
G Hantal, L Brochard, H Laubie, D Ebrahimi, RJM Pellenq, FJ Ulm, ...
Molecular Physics 112 (9-10), 1294-1305, 2014
362014
Calculation of the adsorption isotherm of formaldehyde on ice by grand canonical Monte Carlo simulation
G Hantal, P Jedlovszky, PNM Hoang, S Picaud
The Journal of Physical Chemistry C 111 (38), 14170-14178, 2007
352007
Nuclear quantum effects in electronically adiabatic quantum time correlation functions: Application to the absorption spectrum of a hydrated electron
L Turi, G Hantal, PJ Rossky, D Borgis
The Journal of chemical physics 131 (2), 024119, 2009
322009
Water adsorption isotherms on porous onionlike carbonaceous particles. Simulations with the grand canonical Monte Carlo method
G Hantal, S Picaud, PNM Hoang, VP Voloshin, NN Medvedev, ...
The Journal of chemical physics 133 (14), 144702, 2010
312010
Adsorption of aromatic hydrocarbon molecules at the surface of ice, as seen by grand canonical Monte Carlo simulation
ZE Mészár, G Hantal, S Picaud, P Jedlovszky
The Journal of Physical Chemistry C 117 (13), 6719-6729, 2013
302013
Adsorption of benzaldehyde at the surface of ice, studied by experimental method and computer simulation
M Petitjean, G Hantal, C Chauvin, P Mirabel, S Le Calvé, PNM Hoang, ...
Langmuir 26 (12), 9596-9606, 2010
282010
Fracture mechanisms in organic-rich shales: role of kerogen
L Brochard, G Hantal, H Laubie, FJ Ulm, RJM Pellenq
Fifth biot conference on poromechanics, 2471-2480, 2013
162013
Surface Chemistry and Atomic-Scale Reconstruction of Kerogen–Silica Composites
G Hantal, L Brochard, MN Dias Soeiro Cordeiro, FJ Ulm, RJM Pellenq
The Journal of Physical Chemistry C 118 (5), 2429-2438, 2014
122014
Intrinsic Structure of the Interface of Partially Miscible Fluids: An Application to Ionic Liquids
G Hantal, M Sega, S Kantorovich, C Schröder, M Jorge
The Journal of Physical Chemistry C 119 (51), 28448-28461, 2015
112015
Capturing material toughness by molecular simulation: accounting for large yielding effects and limits
L Brochard, G Hantal, H Laubie, FJ Ulm, RJM Pellenq
International Journal of Fracture 194 (2), 149-167, 2015
112015
Properties of the liquid–vapor interface of acetone–methanol mixtures, as seen from computer simulation and ITIM surface analysis
A Idrissi, G Hantal, P Jedlovszky
Physical Chemistry Chemical Physics 17 (14), 8913-8926, 2015
102015
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