Publicaciones en colaboración con investigadores/as de University of Zanjan (4)

2021

  1. Unraveling the effect of the defect and adsorbate on the magnetic properties of χ 3borophene nanoribbons: an in-silico study

    Physica Scripta, Vol. 96, Núm. 1

2020

  1. A DFT screening of magnetic sensing-based adsorption of NO by M-MOF-74 (M= Mg, Ti, Fe and Zn)

    Materials Chemistry and Physics, Vol. 239

  2. Structures, g-tensors, and hyperfine coupling constants of L-α-alanine radicals in radiation dosimetry: An ab initio molecular dynamics simulation study

    International Journal of Quantum Chemistry, Vol. 120, Núm. 12

2018

  1. Configuration-tuning of vacancy induced magnetism in 3-D pillared graphene: An ab initio study

    Diamond and Related Materials, Vol. 82, pp. 1-6