Publicaciones en colaboración con investigadoras/es de Universidad de Valladolid (135)

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

2018

  1. Probing the structures and bonding of auropolyynes, Au - (C≡C)n - Au- (n = 1-3), using high-resolution photoelectron imaging

    Journal of Chemical Physics, Vol. 149, Núm. 14

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

2014

  1. Metallicity enhancement in core-shell SiO2@RuO2 nanowires

    RSC Advances, Vol. 4, Núm. 65, pp. 34696-34700

  2. Nanostructure oxide, metal oxide and composite cylindrical shapes for energy and electromagnetic spectrum uses: First principles structural, electronic, and transport characterization of SiO2 nanowires, RuO2 nanotubes, and SiO2/RuO2 nanocables

    Optics InfoBase Conference Papers

2013

  1. Tailoring structural and electronic properties of RuO2 nanotubes: A many-body approach and electronic transport

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 35, pp. 14715-14722

2012

  1. First-principles structural and electronic characterization of ordered SiO 2 nanowires

    Journal of Physical Chemistry C, Vol. 116, Núm. 35, pp. 18973-18982

2011

  1. Theoretical study of the structural stability and the electronic properties of Al mH n clusters

    Journal of Computational and Theoretical Nanoscience, Vol. 8, Núm. 4, pp. 609-615

2010

  1. Lifetime of electronic excitations in metal nanoparticles

    New Journal of Physics, Vol. 12

  2. Optical to ultraviolet spectra of sandwiches of benzene and transition metal atoms: Time dependent density functional theory and many-body calculations

    Journal of Chemical Physics, Vol. 132, Núm. 4

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

  3. TOWARDS NANOSTRUCTURED MATERIALS: AN EXAMPLE OF BORON NANOTUBES

    Progress in Theoretical Chemistry and Physics (Springer Nature), pp. 547-556

2005

  1. Theoretical methods that help understanding the structure and reactivity of gas phase ions

    International Journal of Mass Spectrometry, Vol. 240, Núm. 1, pp. 37-99

2004

  1. Calculation of the optical spectrum of the Ti8C12 and V8C12 Met-Cars

    Chemical Physics Letters, Vol. 398, Núm. 4-6, pp. 292-296

  2. Deformations and thermal stability of carbon nanotube ropes

    IEEE Transactions on Nanotechnology, Vol. 3, Núm. 2, pp. 230-236

  3. Excited states dynamics in time-dependent density functional theory. High-field molecular dissociation and harmonic generation

    European Physical Journal D, Vol. 28, Núm. 2, pp. 211-218

  4. Interaction of molecular and atomic hydrogen with single-wall carbon nanotubes

    IEEE Transactions on Nanotechnology, Vol. 3, Núm. 2, pp. 304-310