Hydrogen bonding in 1-butyl-and 1-ethyl-3-methylimidazolium chloride ionic liquids I Skarmoutsos, D Dellis, RP Matthews, T Welton, PA Hunt The journal of physical chemistry B 116 (16), 4921-4933, 2012 | 173 | 2012 |
Li+ Solvation in Pure, Binary, and Ternary Mixtures of Organic Carbonate Electrolytes I Skarmoutsos, V Ponnuchamy, V Vetere, S Mossa The Journal of Physical Chemistry C 119 (9), 4502-4515, 2015 | 137 | 2015 |
On ion and molecular polarization of halides in water E Guardia, I Skarmoutsos, M Masia Journal of chemical theory and computation 5 (6), 1449-1453, 2009 | 94 | 2009 |
The importance of timescale for hydrogen bonding in imidazolium chloride ionic liquids I Skarmoutsos, T Welton, PA Hunt Physical Chemistry Chemical Physics 16 (8), 3675-3685, 2014 | 90 | 2014 |
Hydrogen bonding and related properties in liquid water: A Car–Parrinello molecular dynamics simulation study E Guardia, I Skarmoutsos, M Masia The Journal of Physical Chemistry B 119 (29), 8926-8938, 2015 | 84 | 2015 |
The Anion Effect on Li+ Ion Coordination Structure in Ethylene Carbonate Solutions B Jiang, V Ponnuchamy, Y Shen, X Yang, K Yuan, V Vetere, S Mossa, ... Journal of Physical Chemistry Letters 7, 3554-3559, 2016 | 65 | 2016 |
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 | 57 | 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 | 49 | 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 | 48 | 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 | 48 | 2006 |
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 |
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 | 41 | 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 |
Effect of the local hydrogen bonding network on the reorientational and translational dynamics in supercritical water I Skarmoutsos, E Guardia The Journal of chemical physics 132 (7), 2010 | 38 | 2010 |
Solvent and Salt Effect on Lithium Ion Solvation and Contact Ion Pair Formation in Organic Carbonates: A Quantum Chemical Perspective V Ponnuchamy, S Mossa, I Skarmoutsos The Journal of Physical Chemistry C, 2018 | 37 | 2018 |
Carbon-Based Nanoporous Networks as Media for the Separation of CO2/CH4 Mixtures: A Molecular Dynamics Approach I Skarmoutsos, G Tamiolakis, GE Froudakis The Journal of Physical Chemistry C 117 (38), 19373-19381, 2013 | 33 | 2013 |
Local intermolecular structure and dynamics in binary supercritical solutions. A molecular dynamics simulation study of methane in carbon dioxide I Skarmoutsos, J Samios Journal of molecular liquids 125 (2-3), 181-186, 2006 | 30 | 2006 |
Molecular dynamics of cis/transN-methylformamide liquid mixture using a new optimized all atom rigid force field I Skarmoutsos, J Samios Chemical physics letters 384 (1-3), 108-113, 2004 | 29 | 2004 |
Local structural effects and related dynamics in supercritical ethanol. 2. Hydrogen-bonding network and its effect on single reorientational dynamics I Skarmoutsos, E Guardia The Journal of Physical Chemistry B 113 (26), 8898-8910, 2009 | 28 | 2009 |
Local structural effects and related dynamics in supercritical ethanol. 1. Mechanisms of local density reorganization and residence dynamics I Skarmoutsos, E Guardia The Journal of Physical Chemistry B 113 (26), 8887-8897, 2009 | 24 | 2009 |