José María Mercero Larraza-rekin lankidetzan egindako argitalpenak (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