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List of works by Jannis Samios

Conformational and solvation studies via computer simulation of the novel large scale diastereoselectively synthesized phosphinic MMP inhibitor RXP03 diluted in selected solvents

scientific article published in January 2010

Effect of curvature and chirality for hydrogen storage in single-walled carbon nanotubes: a combined ab initio and Monte Carlo investigation

scientific article published on 01 April 2007

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 structure of dilute aqueous DMSO solutions, as seen from molecular dynamics simulations

scientific article published on June 2017

Molecular dynamics simulation of dilute aqueous DMSO solutions. A temperature-dependence study of the hydrophobic and hydrophilic behaviour around DMSO

article

New effective method for quantitative analysis of diffusion jumps, applied in molecular dynamics simulations of small molecules dispersed in short chain systems.

scientific article published on 3 November 2007

Pressure and temperature dependence of the hydrogen bonding in supercritical ethanol: a computer simulation study

scientific article published on 01 October 2005

SiC Nanotubes: A Novel Material for Hydrogen Storage

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

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

scientific article

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

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