Publicaciones

2011

• Química y Ciencia y Tecnología de los Materiales

  Reassignment of the Vibrational Spectra of Carbonates, Formates, and Related Surface Species on Ceria: A Combined Density Functional and Infrared Spectroscopy Investigation

  Journal of Physical Chemistry C

  Vayssilov, G. N., M. Mihaylov, P. St. Petkov, K. I. Hadjiivanov, y K. M. Neyman
• Química y Ciencia y Tecnología de los Materiales

  Support nanostructure boosts oxygen transfer to catalytically active platinum nanoparticles

  Nature Materials

  Vayssilov, G. N., Y. Lykhach, A. Migani, T. Staudt, G. P. Petrova, N. Tsud, S. M. Tomasi, A. Bruix, F. Illas, K. C. Prince, V. Matolin, K. M. Neyman, y J. Libuda

2010

• Química y Ciencia y Tecnología de los Materiales

  The doping of carbon nanotubes with nitrogen and their potential applications

  Carbon

  Ayala, P., R. Arenal, M. Ruemmeli, A. Rubio, y T. Pichler
• Matemáticas, Física e Ingeniería

  Many-Body Effects in the Excitation Spectrum of a Defect in SiC

  Physical Review Letters

  Bockstedte, M., A. Marini, O. Pankratov, y A. Rubio
• Matemáticas, Física e Ingeniería

  Self-energy and excitonic effects in the electronic and optical properties of TiO2 crystalline phases

  Physical Review B

  Chiodo, L., J. Maria Garcia-Lastra, A. Iacomino, S. Ossicini, J. Zhao, H. Petek, y A. Rubio
• Química y Ciencia y Tecnología de los Materiales

  The Wacker Process: Inner- or Outer-Sphere Nucleophilic Addition? New Insights from Ab Initio Molecular Dynamics

  Chemistry - A European Journal

  Comas-Vives, A., A. Stirling, A. Lledos, y G. Ujaque
• Matemáticas, Física e Ingeniería

  Strong Charge-Transfer Excitonic Effects and the Bose-Einstein Exciton Condensate in Graphane

  Physical Review Letters

  Cudazzo, P., C. Attaccalite, I. V. Tokatly, y A. Rubio
• Química y Ciencia y Tecnología de los Materiales

  Copper-phthalocyanine based metal-organic interfaces: The effect of fluorination, the substrate, and its symmetry

  Journal of Chemical Physics

  de Oteyza, D. G., A. El-Sayed, J. M. Garcia-Lastra, E. Goiri, T. N. Krauss, A. Turak, E. Barrena, H. Dosch, J. Zegenhagen, A. Rubio, Y. Wakayama, y J. E. Ortega
• Química y Ciencia y Tecnología de los Materiales

  Dynamics on Six-Dimensional Potential Energy Surfaces for H-2/Cu(111): Corrugation Reducing Procedure versus Modified Shepard Interpolation Method and PW91 versus RPBE

  Journal of Physical Chemistry C

  Diaz, C., R. A. Olsen, H. F. Busnengo, y G. J. Kroes
• Química y Ciencia y Tecnología de los Materiales

  Six-dimensional dynamics study of reactive and non reactive scattering of H-2 from Cu(111) using a chemically accurate potential energy surface

  Physical Chemistry Chemical Physics

  Diaz, C., R. A. Olsen, D. J. Auerbach, y G. J. Kroes