Publications by the researcher in collaboration with José María Mercero Larraza (22)

2023

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

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

2022

  1. Building machine learning assisted phase diagrams: Three chemically relevant examples

    AIP Advances, Vol. 12, Núm. 7

2016

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

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

2014

  1. Doped aluminum cluster anions: Size matters

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

2012

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

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

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

2007

  1. Endohedral stannaspherenes Mn@Sn12 and its dimer: Ferromagnetic or antiferromagnetic?

    ChemPhysChem, Vol. 8, Núm. 14, pp. 2096-2099

  2. New solids based on B12N12 fullerenes

    Journal of Physical Chemistry C, Vol. 111, Núm. 36, pp. 13354-13360

2006

  1. Electronic excitation energies of ZniSi nanoparticles

    Nanotechnology, Vol. 17, Núm. 16, pp. 4100-4105

  2. Sandwich complexes based on the "all-metal" A14 2- aromatic ring

    Chemistry - A European Journal, Vol. 12, Núm. 17, pp. 4495-4502

2005

  1. Theoretical methods that help understanding the structure and reactivity of gas phase ions

    International Journal of Mass Spectrometry, Vol. 240, Núm. 1, pp. 37-99

2004

  1. Clusters of II-VI materials: CdiXi, X = S, Se, Te, i ≤ 16

    Journal of Physical Chemistry A, Vol. 108, Núm. 47, pp. 10502-10508

  2. Discordant results on the FeO+ + H2 reaction reconciled by quantum Monte Carlo theory

    Molecular Physics, Vol. 102, Núm. 23-24, pp. 2635-2637

  3. Mono- and multidecker sandwich-like complexes of the tetraazacyclobutadiene aromatic ring

    Angewandte Chemie - International Edition, Vol. 43, Núm. 41, pp. 5485-5488

  4. The first solvation shell of aluminum (III) and magnesium (II) cations in a protein model environment

    International Journal of Quantum Chemistry

2003

  1. Clusters of group II - VI materials: CdiOi (i ≤ 15)

    Journal of Physical Chemistry A, Vol. 107, Núm. 46, pp. 9918-9923

  2. Electronic excitation energies of ZniOi clusters

    Journal of the American Chemical Society, Vol. 125, Núm. 31, pp. 9494-9499

  3. Incremental binding free energies of aluminum (III) vs. magnesium (II) complexes

    Chemical Physics, Vol. 295, Núm. 2, pp. 175-184

2002

  1. Methoxyphenols-antioxidant principles in food plants and spices: Pulse radiolysis, EPR spectroscopy, and density functional theory calculations

    International Journal of Quantum Chemistry, Vol. 90, Núm. 2, pp. 969-979