Publikationen in Zusammenarbeit mit Forschern von Consejo Superior de Investigaciones Científicas (11)

2016

  1. High Temperature Ferromagnetism in a GdAg2 Monolayer

    Nano Letters, Vol. 16, Núm. 7, pp. 4230-4235

2015

  1. Comparing Quasiparticle H2O Level Alignment on Anatase and Rutile TiO2

    ACS Catalysis, Vol. 5, Núm. 7, pp. 4242-4254

2014

  1. Quasiparticle level alignment for photocatalytic interfaces

    Journal of Chemical Theory and Computation, Vol. 10, Núm. 5, pp. 2103-2113

2013

  1. Gold and methane: A noble combination for delicate oxidation

    Journal of Physical Chemistry Letters, Vol. 4, Núm. 17, pp. 3006-3012

  2. Level alignment of a prototypical photocatalytic system: Methanol on TiO2(110)

    Journal of the American Chemical Society, Vol. 135, Núm. 31, pp. 11429-11432

2010

  1. Noncollinear spin-spiral phase for the uniform electron gas within reduced-density-matrix-functional theory

    Physical Review B - Condensed Matter and Materials Physics, Vol. 81, Núm. 2

  2. Real-time switching between multiple steady-states in quantum transport

    Journal of Physics: Conference Series

2009

  1. Bound states in time-dependent quantum transport: Oscillations and memory effects in current and density

    Physical Chemistry Chemical Physics, Vol. 11, Núm. 22, pp. 4535-4538

  2. Dependence of response functions and orbital functionals on occupation numbers

    Journal of Chemical Theory and Computation, Vol. 5, Núm. 4, pp. 693-698

2005

  1. Differential virial theorem in relation to a sum rule for the exchange-correlation force in density-functional theory

    Journal of Chemical Physics, Vol. 123, Núm. 19

2003

  1. Band structure of boron doped carbon nanotubes

    MOLECULAR NANOSTRUCTURES