List of works - Ioannis Skarmoutsos

A study of Ar-N2 supercritical mixtures using neutron scattering, molecular dynamics simulations and quantum mechanical scattering calculations

scholarly article

Effect of the local hydrogen bonding network on the reorientational and translational dynamics in supercritical water

scientific article published on 01 February 2010

Highly Efficient Rare-Earth-Based Metal–Organic Frameworks for Water Adsorption: A Molecular Modeling Approach ⬇️

scholarly article

Highly tunable sulfur hexafluoride separation by interpenetration control in metal organic frameworks

scholarly article

Hydrogen Bonding and Related Properties in Liquid Water: A Car-Parrinello Molecular Dynamics Simulation Study

scientific article published on 31 October 2014

Hydrogen Bonding in 1-Butyl- and 1-Ethyl-3-methylimidazolium Chloride Ionic Liquids

Hydrogen bond, electron donor-acceptor dimer, and residence dynamics in supercritical CO(2)-ethanol mixtures and the effect of hydrogen bonding on single reorientational and translational dynamics: A molecular dynamics simulation study

scientific article published on July 2010

Investigation of the local composition enhancement and related dynamics in supercritical CO2-cosolvent mixtures via computer simulation: the case of ethanol in CO2

scientific article published on 01 June 2007

Local density augmentation and dynamic properties of hydrogen-and non-hydrogen-bonded supercritical fluids: a molecular dynamics study

scientific article published on 01 January 2007

Local density inhomogeneities and dynamics in supercritical water: A molecular dynamics simulation approach

scientific article published on 01 November 2006

Local intermolecular structure, hydrogen bonding and related dynamics in the liquid cis/trans N-methylformamide mixture: A density functional theory based Born-Oppenheimer molecular dynamics study

scientific article published in 2022

Local structural effects and related dynamics in supercritical ethanol. 1. Mechanisms of local density reorganization and residence dynamics.

scientific article published in July 2009

Local structural effects and related dynamics in supercritical ethanol. 2. Hydrogen-bonding network and its effect on single reorientational dynamics.

scientific article published in July 2009

On Ion and Molecular Polarization of Halides in Water.

scientific article published in June 2009

Peculiar Molecular Shape and Size Dependence of the Dynamics of Fluids Confined in a Small-Pore Metal-Organic Framework

scientific article published on 22 May 2018

Separation of CO2-N2 mixtures in 3D carbon-based porous nanotube networks: a molecular dynamics investigation

scientific article published on 28 November 2013

Solvation structure and dynamics of cis- and trans-1,2 dichloroethene isomers in supercritical carbon dioxide. A molecular dynamics simulation study

Solvation structure and dynamics of the dimethylammonium cation diluted in liquid water: A molecular dynamics approach

scientific article published on 01 June 2020

Solvent and Salt Effect on Lithium Ion Solvation and Contact Ion Pair Formation in Organic Carbonates: A Quantum Chemical Perspective

scholarly article

Structural and Dynamic Properties of the New Alternative Refrigerant 2,3,3,3-Tetrafluoro-1-propene (HFO-1234yf) in the Liquid State ⬇️

scientific article published on December 7, 2010

Structure and dynamics of liquid CS2: Going from ambient to elevated pressure conditions.

scientific article

The Anion Effect on Li(+) Ion Coordination Structure in Ethylene Carbonate Solutions

scientific article published on 26 August 2016

The effect of intermolecular interactions on local density inhomogeneities and related dynamics in pure supercritical fluids. A comparative molecular dynamics simulation study

scientific article published in March 2009

The effect of polymorphism on the structural, dynamic and dielectric properties of plastic crystal water: A molecular dynamics simulation perspective

scientific article published on 01 March 2019

List of works by Ioannis Skarmoutsos

A study of Ar-N2 supercritical mixtures using neutron scattering, molecular dynamics simulations and quantum mechanical scattering calculations

Effect of the local hydrogen bonding network on the reorientational and translational dynamics in supercritical water

Highly Efficient Rare-Earth-Based Metal–Organic Frameworks for Water Adsorption: A Molecular Modeling Approach ⬇️

Highly tunable sulfur hexafluoride separation by interpenetration control in metal organic frameworks

Hydrogen Bonding and Related Properties in Liquid Water: A Car-Parrinello Molecular Dynamics Simulation Study

Hydrogen Bonding in 1-Butyl- and 1-Ethyl-3-methylimidazolium Chloride Ionic Liquids

Hydrogen bond, electron donor-acceptor dimer, and residence dynamics in supercritical CO(2)-ethanol mixtures and the effect of hydrogen bonding on single reorientational and translational dynamics: A molecular dynamics simulation study

Investigation of the local composition enhancement and related dynamics in supercritical CO2-cosolvent mixtures via computer simulation: the case of ethanol in CO2

Local density augmentation and dynamic properties of hydrogen-and non-hydrogen-bonded supercritical fluids: a molecular dynamics study

Local density inhomogeneities and dynamics in supercritical water: A molecular dynamics simulation approach

Local intermolecular structure, hydrogen bonding and related dynamics in the liquid cis/trans N-methylformamide mixture: A density functional theory based Born-Oppenheimer molecular dynamics study

Local structural effects and related dynamics in supercritical ethanol. 1. Mechanisms of local density reorganization and residence dynamics.

Local structural effects and related dynamics in supercritical ethanol. 2. Hydrogen-bonding network and its effect on single reorientational dynamics.

On Ion and Molecular Polarization of Halides in Water.

Peculiar Molecular Shape and Size Dependence of the Dynamics of Fluids Confined in a Small-Pore Metal-Organic Framework

Separation of CO2-N2 mixtures in 3D carbon-based porous nanotube networks: a molecular dynamics investigation

Solvation structure and dynamics of cis- and trans-1,2 dichloroethene isomers in supercritical carbon dioxide. A molecular dynamics simulation study

Solvation structure and dynamics of the dimethylammonium cation diluted in liquid water: A molecular dynamics approach

Solvent and Salt Effect on Lithium Ion Solvation and Contact Ion Pair Formation in Organic Carbonates: A Quantum Chemical Perspective

Structural and Dynamic Properties of the New Alternative Refrigerant 2,3,3,3-Tetrafluoro-1-propene (HFO-1234yf) in the Liquid State ⬇️

Structure and dynamics of liquid CS2: Going from ambient to elevated pressure conditions.

The Anion Effect on Li(+) Ion Coordination Structure in Ethylene Carbonate Solutions

The effect of intermolecular interactions on local density inhomogeneities and related dynamics in pure supercritical fluids. A comparative molecular dynamics simulation study

The effect of polymorphism on the structural, dynamic and dielectric properties of plastic crystal water: A molecular dynamics simulation perspective

The importance of timescale for hydrogen bonding in imidazolium chloride ionic liquids