Gyorgy Hantal
Gyorgy Hantal
University of Natural Resources (BOKU) Vienna
Adresse e-mail validée de boku.ac.at
Titre
Citée par
Citée par
Année
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
1522008
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
582012
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
532010
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
532008
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
492010
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
472011
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
412009
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
412007
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
402014
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
392008
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
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
342013
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
332010
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
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
292010
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
172013
Pytim: A python package for the interfacial analysis of molecular simulations
M Sega, G Hantal, B Fábián, P Jedlovszky
Journal of computational chemistry 39 (25), 2118-2125, 2018
152018
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
152015
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
152014
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
122015
Le système ne peut pas réaliser cette opération maintenant. Veuillez réessayer plus tard.
Articles 1–20