Publicaciones

2017

• Física

  Hybrid-Basis Close-Coupling Interface to Quantum Chemistry Packages for the Treatment of Ionization Problems

  Journal of Chemical Theory and Computation

  Marante, C., M. Klinker, I. Corral, J. Gonzalez-Vazquez, L. Argenti, y F. Martin

• Biomedicina y Ciencias de la Vida

  Understanding the mechanical response of double-stranded DNA and RNA under constant stretching forces using all-atom molecular dynamics

  Proceedings of the National Academy of Sciences

  Marin-Gonzalez, A., JG. Vilhena, R. Perez, y F. Moreno-Herrero

• Química y Ciencia y Tecnología de los Materiales

  Versatile synthesis and enlargement of functionalized distorted heptagon-containing nanographenes

  Chemical Science

  Marquez, I. R., N. Fuentes, C. M. Cruz, V. Puente-Muñoz, L. Sotorrios, L. M. Marcos, D. Choquesillo-Lazarte, B. Biel, L. Crovetto, E. Gomez-Bengoa, T. M. Gonzalez, R. Martin, J. M. Cuerva, y A. G. Campaña

• Física

  From top-down land use planning intelligence to bottom-up stakeholder engagement for smart cities - a case study: DECUMANUS service products

  International Journal of Services Technology and Management

  Metz, A., J. Luis Perez, M. Lemper, P. Malcorps, R. San Jose, M. Marconcini, Z. Khan, K. Soomro, y D. Ludlow

• Física

  Overview of progress in European medium sized tokamaks towards an integrated plasma-edge/wall solution

  Nuclear Fusion

  Meyer, H., T. Eich, M. Beurskens, S. Coda, A. Hakola, P. Martin, J. Adamek, M. Agostini, D. Aguiam, J. Ahn, et al.

• Química y Ciencia y Tecnología de los Materiales

  What Controls Photocatalytic Water Oxidation on Rutile TiO2(110) under Ultra-High-Vacuum Conditions?

  Journal of the American Chemical Society

  Migani, A., y L. Blancafort

• Química y Ciencia y Tecnología de los Materiales

  Interaction of aromatic molecules with small gold clusters

  Chemical Physics Letters

  Molina, L. M., M. J. López, y J. A. Alonso

• Biomedicina y Ciencias de la Vida

  Proteoliposomal formulations of an HIV-1 gp41-based miniprotein elicit a lipid-dependent immunodominant response overlapping the 2F5 binding motif

  Scientific Reports

  Molinos-Albert, L. M., E. Bilbao, L. Agullo, S. Marfil, E. Garcia, M. Luisa Rodr de la Concepcion, N. Izquierdo-Useros, C. Vilaplana, J. A. Nieto-Garai, F.-X. Contreras, M. Floor, P. J. Cardona, J. Martinez-Picado, B. Clotet, J. Villa-Freixa, M. Lorizate, J. Carrillo, y J. Blanco

• Química y Ciencia y Tecnología de los Materiales

  An Empirical, yet Practical Way To Predict the Band Gap in Solids by Using Density Functional Band Structure Calculations

  Journal of Physical Chemistry C

  Morales-Garcia, A., R. Valero, y F. Illas

• Química y Ciencia y Tecnología de los Materiales

  Performance of the G(0)W(0) Method in Predicting the Electronic Gap of TiO2 Nanoparticles

  Journal of Chemical Theory and Computation

  Morales-Garcia, A., R. Valero, y F. Illas