Publicaciones en las que colabora con JOSE MARIA MERCERO LARRAZA (59)

2024

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

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

2022

  1. Electron delocalization in clusters

    Atomic Clusters with Unusual Structure, Bonding and Reactivity: Theoretical Approaches, Computational Assessment and Applications (Elsevier), pp. 19-39

  2. 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

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

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

  2. 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

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

2010

  1. Aromaticity in All-Metal Rings

    Atoms, Molecules, and Clusters Structure, Reactivity, and Dynamics: Aromaticity and Metal Clusters (CRC Press), pp. 323-337

2009

  1. Sandwich complexes of the metalloaromatic η3-AI 3R3 ligand

    Journal of the American Chemical Society, Vol. 131, Núm. 20, pp. 6949-6951

2008

  1. Magnetic endohedral transition-metal-doped semiconduncting-nanoclusters

    Chemistry - A European Journal, Vol. 14, Núm. 28, pp. 8547-8554