Publicacións en colaboración con investigadores/as de University of Cambridge (6)

2016

  1. Molecular dynamics simulation of the behaviour of water in nano-confined ionic liquid-water mixtures

    Journal of Physics Condensed Matter, Vol. 28, Núm. 46

  2. Molecular origin of high free energy barriers for alkali metal ion transfer through ionic liquid-graphene electrode interfaces

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 2, pp. 1302-1310

2015

  1. Molecular dynamics simulations of the structure and single-particle dynamics of mixtures of divalent salts and ionic liquids

    Journal of Chemical Physics, Vol. 143, Núm. 12

2014

  1. Molecular dynamics simulations of the structure of the graphene-ionic liquid/alkali salt mixtures interface

    Physical Chemistry Chemical Physics, Vol. 16, Núm. 26, pp. 13271-13278

2012

  1. Investigation of the local structure of mixtures of an ionic liquid with polar molecular species through molecular dynamics: Cluster formation and angular distributions

    Journal of Physical Chemistry B, Vol. 116, Núm. 20, pp. 5941-5950

2001

  1. Density-functional calculations of the structures, binding energies, and magnetic moments of Fe clusters with 2 to 17 atoms

    Physical Review B - Condensed Matter and Materials Physics, Vol. 63, Núm. 20