Publicaciones

2020

• Química y Ciencia y Tecnología de los Materiales

  Canonical, deprotonated, or zwitterionic? II. A computational study on amino acid interaction with the TiO2(110) rutile surface: comparison with the anatase (101) surface

  Phys. Chem. Chem. Phys.

  Pantaleone, S., A. Rimola, y M. Sodupe

• Astronomía, Espacio y Ciencias de la Tierra

  Chemical Desorption versus Energy Dissipation: Insights from Ab Initio Molecular Dynamics of HCO- Formation

  The Astrophysical Journal

  Pantaleone, S., J. Enrique-Romero, C. Ceccarelli, P. Ugliengo, N. Balucani, y A. Rimola

• Física

  Sequential Bending and Twisting around C–C Single Bonds by Mechanical Lifting of a Pre-Adsorbed Polymer

  Nano Letters

  Pawlak, R., J. G. Vilhena, P. D’Astolfo, X. Liu, G. Prampolini, T. Meier, T. Glatzel, J. A. Lemkul, R. Häner, S. Decurtins, A. Baratoff, R. Perez, S-X. Liu, y E. Meyer

• Física

  Modeling gaseous non-reactive flow in a lean direct injection gas turbine combustor through an advanced mesh control strategy

  Proceedings of the Institution of Mechanical Engineers, Part G: Journal of Aerospace Engineering

  Payri, R., R. Novella, M. Carreres, y M. Belmar-Gil

• Química y Ciencia y Tecnología de los Materiales

  Experimental and Theoretical Study of SbPO4 under Compression

  Inorganic Chemistry

  Pereira, A. Luis de Je, D. Santamaria-Perez, R. Vilaplana, D. Errandonea, C. Popescu, E. Lora da Silva, J. Angel Sans, J. Rodríguez-Carvajal, A. Munoz, P. Rodriguez-Hernandez, A. Mujica, S. Elena Radescu, A. Beltrán, A. Otero-de-la-Roza, M. Nalin, M. Mollar, y F. Javier Manjón

• Química y Ciencia y Tecnología de los Materiales

  Designing water splitting catalysts using rules of thumb: advantages, dangers and alternatives

  PHYSICAL CHEMISTRY CHEMICAL PHYSICS

  Pique, O., F. Illas, y F. Calle-Vallejo

• Química y Ciencia y Tecnología de los Materiales

  Elucidating the Structure of Ethanol-Producing Active Sites at Oxide-Derived Cu Electrocatalysts

  ACS Catalysis

  Pique, O., F. Vines, F. Illas, y F. Calle-Vallejo

• Física

  Defect formation in a graphene overlayer on ruthenium under high pressure

  PHYSICAL REVIEW B

  Pisarra, M., C. Diaz, y F. Martin

• Astronomía, Espacio y Ciencias de la Tierra

  NIFTY galaxy cluster simulations - VI. The dynamical imprint of substructure on gaseous cluster outskirts

  MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY

  Power, C., P. J. Elahi, C. Welker, A. Knebe, F. R. Pearce, G. Yepes, R. Dave, S. T. Kay, I. G. McCarthy, E. Puchwein, S. Borgani, D. Cunnama, W. Cui, y J. Schaye

• Química y Ciencia y Tecnología de los Materiales

  Transition metal atoms encapsulated within microporous Silicalite-1 zeolite: A systematic computational study

  MICROPOROUS AND MESOPOROUS MATERIALS

  Prats, H., G. Alonso, R. Sayos, y P. Gamallo