| SiC nanotubes: a novel material for hydrogen storage G Mpourmpakis, GE Froudakis, GP Lithoxoos, J Samios Nano letters 6 (8), 1581-1583, 2006 | 410 | 2006 |
| Adsorption of N2, CH4, CO and CO2 gases in single walled carbon nanotubes: A combined experimental and Monte Carlo molecular simulation study GP Lithoxoos, A Labropoulos, LD Peristeras, N Kanellopoulos, J Samios, ... The Journal of Supercritical Fluids 55 (2), 510-523, 2010 | 169 | 2010 |
| Hydrogen bonding in supercritical methanol. A molecular dynamics investigation M Chalaris, J Samios The Journal of Physical Chemistry B 103 (7), 1161-1166, 1999 | 92 | 1999 |
| Molecular dynamics simulation of dilute aqueous DMSO solutions. A temperature-dependence study of the hydrophobic and hydrophilic behaviour around DMSO RL Mancera, M Chalaris, K Refson, J Samios Physical Chemistry Chemical Physics 6 (1), 94-102, 2004 | 83 | 2004 |
| Novel approaches to the structure and dynamics of liquids: experiments, theories and simulations J Samios, VA Durov Springer Science & Business Media, 2013 | 81 | 2013 |
| Binary mixtures of supercritical carbon dioxide with methanol. A molecular dynamics simulation study G Chatzis, J Samios Chemical physics letters 374 (1-2), 187-193, 2003 | 78 | 2003 |
| The concentration effect on the ‘hydrophobic’and ‘hydrophilic’behaviour around DMSO in dilute aqueous DMSO solutions. A computer simulation study RL Mancera, M Chalaris, J Samios Journal of molecular liquids 110 (1-3), 147-153, 2004 | 72 | 2004 |
| Systematic molecular dynamics studies of liquid -dimethylformamide using optimized rigid force fields: Investigation of the thermodynamic, structural, transport … M Chalaris, J Samios The Journal of Chemical Physics 112 (19), 8581-8594, 2000 | 72 | 2000 |
| Effect of curvature and chirality for hydrogen storage in single-walled carbon nanotubes: a combined ab initio and Monte Carlo investigation G Mpourmpakis, GE Froudakis, GP Lithoxoos, J Samios The Journal of chemical physics 126 (14), 2007 | 58 | 2007 |
| Hydrogen bond, electron donor-acceptor dimer, and residence dynamics in supercritical CO2-ethanol mixtures and the effect of hydrogen bonding on single reorientational and … I Skarmoutsos, E Guardia, J Samios The Journal of chemical physics 133 (1), 2010 | 55 | 2010 |
| Local structural fluctuations, hydrogen bonding and structural transitions in supercritical water I Skarmoutsos, E Guardia, J Samios The Journal of Supercritical Fluids 130, 156-164, 2017 | 48 | 2017 |
| The effect of intermolecular interactions on local density inhomogeneities and related dynamics in pure supercritical fluids. A comparative molecular dynamics simulation study I Skarmoutsos, D Dellis, J Samios The Journal of Physical Chemistry B 113 (9), 2783-2793, 2009 | 47 | 2009 |
| Local density inhomogeneities and dynamics in supercritical water: A molecular dynamics simulation approach I Skarmoutsos, J Samios The Journal of Physical Chemistry B 110 (43), 21931-21937, 2006 | 47 | 2006 |
| A molecular dynamics simulation of interaction-induced FIR absorption spectra of liquid CS2 J Samios, U Mittag, T Dorfmüller Molecular Physics 59 (1), 65-79, 1986 | 47 | 1986 |
| Investigation of silicon model nanotubes as potential candidate nanomaterials for efficient hydrogen storage: a combined ab initio/grand canonical Monte Carlo simulation study GP Lithoxoos, J Samios, Y Carissan The Journal of Physical Chemistry C 112 (43), 16725-16728, 2008 | 45 | 2008 |
| Molecular force field investigation for Sulfur Hexafluoride: A computer simulation study D Dellis, J Samios Fluid phase equilibria 291 (1), 81-89, 2010 | 41 | 2010 |
| Investigation of the local composition enhancement and related dynamics in supercritical CO2-cosolvent mixtures via computer simulation: the case of ethanol in CO2 I Skarmoutsos, D Dellis, J Samios The Journal of chemical physics 126 (22), 2007 | 41 | 2007 |
| Pressure and temperature dependence of the hydrogen bonding in supercritical ethanol: A computer simulation study D Dellis, M Chalaris, J Samios The Journal of Physical Chemistry B 109 (39), 18575-18590, 2005 | 40 | 2005 |
| Local density augmentation and dynamic properties of hydrogen-and non-hydrogen-bonded supercritical fluids: A molecular dynamics study I Skarmoutsos, J Samios The Journal of chemical physics 126 (4), 2007 | 39 | 2007 |
| Investigation of the vapor–liquid equilibrium and supercritical phase of pure methane via computer simulations I Skarmoutsos, LI Kampanakis, J Samios Journal of molecular liquids 117 (1-3), 33-41, 2005 | 39 | 2005 |
