Publicaciones en colaboración con investigadoras/es de University of Texas at Austin (10)

2022

  1. Simulating Terahertz Field-Induced Ferroelectricity in Quantum Paraelectric SrTiO3

    Physical Review Letters, Vol. 129, Núm. 16

2021

  1. Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

    Journal of Chemical Physics, Vol. 155, Núm. 8

2013

  1. Hybridization between Cu-O chain and Cu(110) surface states in the O(2×1)/Cu(110) surface from first principles

    Journal of Physics Condensed Matter, Vol. 25, Núm. 13

2012

  1. Benchmark of GW methods for azabenzenes

    Physical Review B - Condensed Matter and Materials Physics, Vol. 86, Núm. 24

  2. Theory of orthogonal interactions of CO molecules on a one-dimensional substrate

    Physical Review B - Condensed Matter and Materials Physics, Vol. 85, Núm. 12

2007

  1. Red-to-yellow pressure-induced phase transition in Pt(bpy)Cl2: Spectroscopic study supported by DFT calculations

    European Journal of Inorganic Chemistry, pp. 5735-5742

2005

  1. A viable way to tailor carbon nanomaterials by irradiation-induced transformations

    Radiation Physics and Chemistry, Vol. 73, Núm. 6, pp. 334-339

2004

  1. On the breaking of carbon nanotubes under tension

    Nano Letters, Vol. 4, Núm. 5, pp. 811-815

2003

  1. Direct observation of the mechanical properties of single-walled carbon nanotubes and their junctions at the atomic level

    Nano Letters, Vol. 3, Núm. 6, pp. 751-755

1995

  1. New local electronic stopping model for the Monte Carlo simulation of arsenic ion implantation into (100) single-crystal silicon

    Materials Research Society Symposium - Proceedings