Publicaciones en colaboración con investigadores/as de Centro de Física de Materiales (12)

2021

  1. Absence of spillover of hydrogen adsorbed on small palladium clusters anchored to graphene vacancies

    Applied Surface Science, Vol. 559

2019

  1. Dynamics of Cluster Isomerization Induced by Hydrogen Adsorption

    Journal of Physical Chemistry C, Vol. 123, Núm. 24, pp. 15236-15243

2017

  1. Manipulating the Magnetic Moment of Palladium Clusters by Adsorption and Dissociation of Molecular Hydrogen

    Journal of Physical Chemistry C, Vol. 121, Núm. 38, pp. 20756-20762

2016

  1. Is Spillover Relevant for Hydrogen Adsorption and Storage in Porous Carbons Doped with Palladium Nanoparticles?

    Journal of Physical Chemistry C, Vol. 120, Núm. 31, pp. 17357-17364

2013

  1. Simulating pump-probe photoelectron and absorption spectroscopy on the attosecond timescale with time-dependent density functional theory

    ChemPhysChem, Vol. 14, Núm. 7, pp. 1363-1376

2009

  1. Optical and magnetic properties of boron fullerenes

    Physical Chemistry Chemical Physics, Vol. 11, Núm. 22, pp. 4523-4527

2006

  1. Optical absorption spectra of v4+ isomers: One example of first-principles theoretical spectroscopy with time-dependent density functional theory

    Journal of Computational and Theoretical Nanoscience

  2. Photoabsorption spectra of Ti8C12 metallocarbohedrynes: Theoretical spectroscopy within time-dependent density functional theory

    Journal of Chemical Physics, Vol. 125, Núm. 7

2005

  1. Optical absorption of the blue fluorescent protein: A first-principles study

    Journal of the American Chemical Society, Vol. 127, Núm. 35, pp. 12329-12337

2004

  1. Propagators for the time-dependent Kohn-Sham equations

    Journal of Chemical Physics, Vol. 121, Núm. 8, pp. 3425-3433

2003

  1. Solution of Poisson's equation for finite systems using plane-wave methods

    Canadian Journal of Physics, Vol. 81, Núm. 10, pp. 1151-1164

  2. Time-Dependent Density-Functional Approach for Biological Chromophores: The Case of the Green Fluorescent Protein

    Physical Review Letters, Vol. 90, Núm. 25, pp. 4