Argitalpenak (120) LUIS CARLOS BALBAS RUESGAS argitalpenak

2023

  1. Adsorption of multiple NO molecules on Au10− and Au9Zn− planar clusters. A comparative DFT study

    Physical Chemistry Chemical Physics, Vol. 25, Núm. 26, pp. 17176-17185

2022

  1. Interactions of nitric oxide molecules with pure and oxidized silver clusters Agn±/AgnO± (n=11-13): A computational study

    The Journal of chemical physics, Vol. 157, Núm. 7, pp. 074310

2019

  1. Hydrogen Chemisorption on Doubly Vanadium Doped Aluminum Clusters

    Zeitschrift fur Physikalische Chemie, Vol. 233, Núm. 6, pp. 799-812

  2. Study of odd-even effects in physisorption and chemisorption of Ar, N2, O2 and NO on open shell Ag11-13+ clusters by means of self-consistent van der Waals density functional calculations

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 45, pp. 25158-25174

2018

  1. Structure, fragmentation patterns, and electronic properties of small indium oxide clusters

    Theoretical Chemistry Accounts, Vol. 137, Núm. 4

2017

  1. Hydrogen Chemisorption on Singly Vanadium-Doped Aluminum Clusters

    Chemistry - A European Journal, Vol. 23, Núm. 62, pp. 15638-15643

  2. Structure, fragmentation patterns, and magnetic properties of small nickel oxide clusters

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 4, pp. 3366-3383

2016

  1. Multiple adsorption of molecular oxygen on small Au/Pd cationic clusters at finite temperature. A van der Waals density functional study

    Journal of Chemical Physics, Vol. 144, Núm. 22

  2. New structural and electronic properties of (TiO2)10

    Journal of Chemical Physics, Vol. 144, Núm. 23

2015

  1. Structural, vibrational, and magnetic properties of FeCoOn0/+ (n = 1-6) bimetallic oxide clusters

    Journal of Physical Chemistry C, Vol. 119, Núm. 20, pp. 11200-11209

2014

  1. Structural and electronic properties of TMn[(BN) 3H6]m complexes with TM = Co (n, m = 1-3) and with TM = Fe, Ni, Ru, Rh, Pd (n = m = 1-3)

    Journal of Physical Chemistry A, Vol. 118, Núm. 16, pp. 2976-2983

  2. Structure, fragmentation patterns, and magnetic properties of small cobalt oxide clusters

    Physical Chemistry Chemical Physics, Vol. 16, Núm. 39, pp. 21732-21741

  3. Titanium embedded cage structure formation in AlnTi+ clusters and their interaction with Ar

    Journal of Chemical Physics, Vol. 140, Núm. 17

2013

  1. A new family of star-like icosahedral structures for small cobalt clusters

    Chemical Physics, Vol. 415, pp. 106-111

  2. Adsorption of H, H2, and H2O inside and outside of (M@Si16F)6 tubelike aggregates and wires (M = V, Ta). A first principles study

    Materials Chemistry and Physics, Vol. 139, Núm. 1, pp. 247-255

  3. Antiferromagnetic-like coupling in the cationic iron cluster of thirteen atoms

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 34, pp. 14458-14464

  4. Theoretical study of AlnV+ clusters and their interaction with Ar

    Journal of Chemical Physics, Vol. 139, Núm. 21

2012

  1. Al enhances the H 2 storage capacity of graphene at nanoribbon borders but not at central sites: A study using nonlocal van der Waals density functionals

    Physical Review B - Condensed Matter and Materials Physics, Vol. 85, Núm. 12

  2. GGA/PBE study of the spin isomers of Fe 34,40, Co 23,34, and Co 12Cu Clusters with Selected Geometries

    Journal of the Mexican Chemical Society, Vol. 56, Núm. 3, pp. 331-337

  3. On the electric dipole moments of small sodium clusters from different theoretical approaches

    Chemical Physics, Vol. 399, pp. 252-257