Publicaciones en colaboración con investigadoras/es de Ikerbasque, Fundación Vasca para la Ciencia (16)

2024

  1. Deposited PtGe Clusters as Active and Durable Catalysts for CO Oxidation**

    ChemCatChem, Vol. 16, Núm. 3

  2. Doping Efects on Ethane/Ethylene Dehydrogenation Catalyzed by Pt2X Nanoclusters

    ChemPhysChem

  3. Unveiling the quantum secrets of triel metal triangles: a tale of stability, aromaticity, and relativistic effects

    Physical Chemistry Chemical Physics, Vol. 26, Núm. 16, pp. 12619-12627

2023

  1. Natural orbital functional theory studies of all-metal aromaticity: The Al3−anion

    Advances in Quantum Chemistry (Academic Press Inc.), pp. 229-248

2022

  1. Does the composition in PtGe clusters play any role in fighting CO poisoning?

    Journal of Chemical Physics, Vol. 156, Núm. 17

  2. Erratum: Does the composition in PtGe clusters play any role in fighting CO poisoning? (J. Chem. Phys. (2022) 156 (174301) DOI: 10.1063/5.0089179)

    Journal of Chemical Physics

2021

  1. Chemical reactivity studies by the natural orbital functional second-order Møller–Plesset (NOF-MP2) method: water dehydrogenation by the scandium cation

    Theoretical Chemistry Accounts, Vol. 140, Núm. 6

  2. Doping Platinum with Germanium: An Effective Way to Mitigate the CO Poisoning

    ChemPhysChem, Vol. 22, Núm. 15, pp. 1603-1610

2017

  1. The aromaticity of dicupra[10]annulenes

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 14, pp. 9669-9675

2016

  1. Structural and optical properties of the naked and passivated Al5Au5 bimetallic nanoclusters

    Journal of Chemical Physics, Vol. 144, Núm. 11

  2. The electron-pair density distribution of the 1,3πu excited states of H2

    Canadian Journal of Chemistry, Vol. 94, Núm. 12, pp. 998-1001

2015

  1. The Electronic Structure of the Al3- Anion: Is it Aromatic?

    Chemistry - A European Journal, Vol. 21, Núm. 27, pp. 9610-9614

2012

  1. CBe 5E - (E = Al, Ga, In, Tl): Planar pentacoordinate carbon in heptaatomic clusters

    Physical Chemistry Chemical Physics, Vol. 14, Núm. 43, pp. 14764-14768

  2. Planar tetracoordinate carbon in CE 4 2- (E = Al-Tl) clusters

    Chemical Physics Letters, Vol. 519-520, pp. 29-33

  3. Sp 3 Hybrid orbitals and ionization energies of methane from PNOF5

    Chemical Physics Letters, Vol. 531, pp. 272-274

  4. Vibrational spectroscopy of self-assembling aromatic peptide derivates

    Journal of Raman Spectroscopy, Vol. 43, Núm. 10, pp. 1397-1406