List of works - Elvira Guardia

Aqueous electrolytes confined within functionalized silica nanopores

scientific article published on 01 September 2011

Characterization of the Methane-Graphene Hydrophobic Interaction in Aqueous Solution from Ab Initio Simulations

scientific article published on 2 October 2013

Density and temperature effects on the orientational and dielectric properties of supercritical water

scientific article published on 27 January 2004

Effect of the Water Model in Simulations of Protein-Protein Recognition and Association

scientific article published on 06 January 2021

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

scientific article published on 01 February 2010

Effects of concentration on structure, dielectric, and dynamic properties of aqueous NaCl solutions using a polarizable model

scientific article published on 01 June 2010

Excess protons in mesoscopic water-acetone nanoclusters

scientific article published on 01 November 2012

Exploring the picosecond time domain of the solvation dynamics of coumarin 153 within beta-cyclodextrins.

scientific article published on 2 July 2008

Fitting properties from density functional theory based molecular dynamics simulations to parameterize a rigid water force field.

scientific article published in February 2012

Hydrogen bond structure and dynamics in aqueous electrolytes at ambient and supercritical conditions

scientific article published on 01 March 2006

Insights into the determination of molecular structure from diffraction data using a Bayesian algorithm

scientific article

Langevin and molecular dynamics simulations of Lennard-Jones liquids

Liquid water confined in carbon nanochannels at high temperatures

scientific article published on 10 October 2007

Molecular dynamics simulation of liquid water confined inside graphite channels: dielectric and dynamical properties

scientific article published on 01 November 2006

Molecular dynamics simulations of supercritical water confined within a carbon-slit pore

scientific article published on 20 March 2009

Molecular simulation of liquid water confined inside graphite channels: thermodynamics and structural properties

scientific article published on 01 March 2006

On Ion and Molecular Polarization of Halides in Water.

scientific article published in June 2009

Protons in non-ionic aqueous reverse micelles

scientific article published on 11 April 2007

Shortcomings of the standard Lennard-Jones dispersion term in water models, studied with force matching.