| 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 | 127 | 2008 |
| 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 | 51 | 2012 |
| 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 | 46 | 2008 |
| 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 | 43 | 2011 |
| 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 | 43 | 2010 |
| 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 | 41 | 2010 |
| 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 | 38 | 2009 |
| 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 | 37 | 2008 |
| 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 | 34 | 2007 |
| 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 | 33 | 2007 |
| 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 | 29 | 2014 |
| 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 | 29 | 2010 |
| 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 | 27 | 2013 |
| 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 | 27 | 2009 |
| 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 | 26 | 2010 |
| 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 | 14 | 2013 |
| 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 | 10 | 2015 |
| 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 | 10 | 2014 |
| 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 | 8 | 2015 |
| 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 | 8 | 2015 |
Sylvain PICAUDInstitut UTINAM - UMR 6213 CNRS/Univ Franche-ComteAdresse e-mail validée de univ-fcomte.fr