Publicaciones en colaboración con investigadores/as de Universidad del País Vasco/Euskal Herriko Unibertsitatea (69)

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. Few electron systems confined in Gaussian potential wells and connection to Hooke atoms

    International Journal of Quantum Chemistry, Vol. 123, Núm. 5

  2. Rigidified Bis(sulfonyl)ethylenes as Effective Michael Acceptors for Asymmetric Catalysis: Application to the Enantioselective Synthesis of Quaternary Hydantoins

    Journal of Organic Chemistry, Vol. 88, Núm. 2, pp. 972-987

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

  3. Experiment and Theory Clarify: Sc+ Receives One Oxygen Atom from SO2 to Form ScO+, which Proves to be a Catalyst for the Hidden Oxygen-Exchange with SO2

    ChemPhysChem, Vol. 23, Núm. 5

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

2019

  1. Asymmetric Synthesis of Adjacent Tri- and Tetrasubstituted Carbon Stereocenters: Organocatalytic Aldol Reaction of an Hydantoin Surrogate with Azaarene 2-Carbaldehydes

    Chemistry - A European Journal, Vol. 25, Núm. 53, pp. 12431-12438

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

  3. The stability of biradicaloid: Versus closed-shell [E(μ-XR)]2 (E = P, As; X = N, P, As) rings. Does aromaticity play a role?

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 17, pp. 11879-11884

2015

  1. Planar pentacoordinate carbons in CBe54- derivatives

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 6, pp. 4620-4624

  2. Recent developments and future prospects of all-metal aromatic compounds

    Chemical Society Reviews, Vol. 44, Núm. 18, pp. 6519-6534

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

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

2014

  1. Aluminium in biological environments: A computational approach

    Computational and Structural Biotechnology Journal

  2. Doped aluminum cluster anions: Size matters

    Journal of Physical Chemistry A, Vol. 118, Núm. 24, pp. 4309-4314

2013

  1. Re-examination of the C6Li6 structure: To be, or not to be symmetric

    Chemistry - A European Journal, Vol. 19, Núm. 38, pp. 12668-12672