| Prediction of Permeation Properties of CO2 and N2 through Silicalite via Molecular Simulations K Makrodimitris, GK Papadopoulos, DN Theodorou The Journal of Physical Chemistry B 105 (4), 777-788, 2001 | 225 | 2001 |
| Water adsorption behaviour of CAU-10-H: a thorough investigation of its structure–property relationships D Fröhlich, E Pantatosaki, PD Kolokathis, K Markey, H Reinsch, ... Journal of materials chemistry A 4 (30), 11859-11869, 2016 | 182 | 2016 |
| Determination of Micropore Size Distribution from Grand Canonical Monte Carlo Simulations and Experimental CO2 Isotherm Data S Samios, AK Stubos, NK Kanellopoulos, RF Cracknell, ... Langmuir 13 (10), 2795-2802, 1997 | 127 | 1997 |
| Transport Diffusivity of N2 and CO2 in Silicalite: Coherent Quasielastic Neutron Scattering Measurements and Molecular Dynamics Simulations GK Papadopoulos, H Jobic, DN Theodorou The Journal of Physical Chemistry B 108 (34), 12748-12756, 2004 | 119 | 2004 |
| On the impact of sorbent mobility on the sorbed phase equilibria and dynamics: a study of methane and carbon dioxide within the zeolite imidazolate framework-8 E Pantatosaki, G Megariotis, AK Pusch, C Chmelik, F Stallmach, ... The Journal of Physical Chemistry C 116 (1), 201-207, 2012 | 106 | 2012 |
| Diffusion in fluid catalytic cracking catalysts on various displacement scales and its role in catalytic performance P Kortunov, S Vasenkov, J Kärger, M Fé Elía, M Perez, M Stöcker, ... Chemistry of materials 17 (9), 2466-2474, 2005 | 85 | 2005 |
| Atomistic simulation studies on the dynamics and thermodynamics of nonpolar molecules within the zeolite imidazolate framework-8 E Pantatosaki, FG Pazzona, G Megariotis, GK Papadopoulos The Journal of Physical Chemistry B 114 (7), 2493-2503, 2010 | 68 | 2010 |
| The structure of adsorbed CO2 in slitlike micropores at low and high temperature and the resulting micropore size distribution based on GCMC simulations S Samios, AK Stubos, GK Papadopoulos, NK Kanellopoulos, F Rigas Journal of colloid and interface science 224 (2), 272-290, 2000 | 56 | 2000 |
| Probing the hydrogen equilibrium and kinetics in zeolite imidazolate frameworks via molecular dynamics and quasi-elastic neutron scattering experiments E Pantatosaki, H Jobic, DI Kolokolov, S Karmakar, R Biniwale, ... The Journal of Chemical Physics 138 (3), 2013 | 46 | 2013 |
| Sorption Thermodynamics of CO2, CH4, and Their Mixtures in the ITQ-1 Zeolite as Revealed by Molecular Simulations JM Leyssale, GK Papadopoulos, DN Theodorou The Journal of Physical Chemistry B 110 (45), 22742-22753, 2006 | 45 | 2006 |
| Mesoscopic simulations of the diffusivity of ethane in beds of NaX zeolite crystals: Comparison with pulsed field gradient NMR measurements GK Papadopoulos, DN Theodorou, S Vasenkov, J Kärger The Journal of chemical physics 126 (9), 2007 | 39 | 2007 |
| Molecular dynamics phenomena of water in the metalorganic framework MIL-100 (Al), as revealed by pulsed field gradient NMR and atomistic simulation T Splith, E Pantatosaki, PD Kolokathis, D Fröhlich, K Zhang, G Füldner, ... The Journal of Physical Chemistry C 121 (33), 18065-18074, 2017 | 33 | 2017 |
| Micropore size distributions from CO2 using grand canonical Monte Carlo at ambient temperatures: cylindrical versus slit pore geometries E Pantatosaki, D Psomadopoulos, T Steriotis, AK Stubos, A Papaioannou, ... Colloids and Surfaces A: Physicochemical and Engineering Aspects 241 (1-3 …, 2004 | 32 | 2004 |
| Atomistic modeling of water thermodynamics and kinetics within MIL-100 (Fe) PD Kolokathis, E Pantatosaki, GK Papadopoulos The Journal of Physical Chemistry C 119 (34), 20074-20084, 2015 | 30 | 2015 |
| Combined atomistic simulation and quasielastic neutron scattering study of the low-temperature dynamics of hydrogen and deuterium confined in NaX zeolite E Pantatosaki, GK Papadopoulos, H Jobic, DN Theodorou The Journal of Physical Chemistry B 112 (37), 11708-11715, 2008 | 29 | 2008 |
| On the computation of long-range interactions in fluids under confinement: Application to pore systems with various types of spatial periodicity E Pantatosaki, GK Papadopoulos The Journal of chemical physics 127 (16), 2007 | 29 | 2007 |
| Parallel tempering method for reconstructing isotropic and anisotropic porous media K Makrodimitris, GK Papadopoulos, C Philippopoulos, DN Theodorou The Journal of chemical physics 117 (12), 5876-5884, 2002 | 27 | 2002 |
| Characterization of nanoporous carbons by combining CO2 and H2 sorption data with the Monte Carlo simulations M Konstantakou, TA Steriotis, GK Papadopoulos, M Kainourgiakis, ... Applied surface science 253 (13), 5715-5720, 2007 | 26 | 2007 |
| Influence of orientational ordering transition on diffusion of carbon dioxide in carbon nanopores GK Papadopoulos The Journal of Chemical Physics 114 (18), 8139-8144, 2001 | 25 | 2001 |
| Dimensionality reduction of free energy profiles of benzene in silicalite-1: calculation of diffusion coefficients using transition state theory PD Kolokathis, E Pantatosaki, CA Gatsiou, H Jobic, GK Papadopoulos, ... Molecular Simulation 40 (1-3), 80-100, 2014 | 22 | 2014 |
