selected publications

• erratum

  • Erratum: Structure and magnetism of small rhodium clusters (Physical Review B (2002) 66 (224410)).  Physical Review B - Condensed Matter and Materials Physics. 1399011-. 2003-01-01

• article

  • On the doping of the Ga12As12 cluster with groups p and d atomic impurities.  Theoretical Chemistry Accounts.  140:-. 2021-01-01
  • Relation between structural patterns and magnetism in small iron oxide clusters: Reentrance of the magnetic moment at high oxidation ratios.  Physical Chemistry Chemical Physics.  23:246-272. 2021-01-01
  • Tuning the magnetic moment of small late 3d-transition-metal oxide clusters by selectively mixing the transition-metal constituents.  Nanomaterials.  10:1-22. 2020-01-01
  • Uncovering the magnetic properties of the AgxNiy (x%2by=55) nanoalloys in the whole composition range.  Journal of Magnetism and Magnetic Materials.  474:551-562. 2019-01-01
  • Structure, fragmentation patterns, and electronic properties of small indium oxide clusters.  Theoretical Chemistry Accounts.  137:-. 2018-01-01
  • Structure, fragmentation patterns, and magnetic properties of small nickel oxide clusters.  Physical Chemistry Chemical Physics.  19:3366-3383. 2017-01-01
  • New structural and electronic properties of (TiO2)10.  Journal of Chemical Physics.  144:-. 2016-01-01
  • Structural, magnetic, and vibrational properties of stoichiometric clusters of CrN.  International Journal of Quantum Chemistry.  115:523-528. 2015-01-01
  • Structural, vibrational, and magnetic properties of FeCoOn0/ (n = 1-6) bimetallic oxide clusters.  Journal of Physical Chemistry C.  119:11200-11209. 2015-01-01
  • Spin-orbit effects on the structural, homotop, and magnetic configurations of small pure and Fe-doped Pt clusters.  Journal of Nanoparticle Research.  16:-. 2014-01-01
  • 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.  118:2976-2983. 2014-01-01
  • Structure, fragmentation patterns, and magnetic properties of small cobalt oxide clusters.  Physical Chemistry Chemical Physics.  16:21732-21741. 2014-01-01
  • Titanium embedded cage structure formation in AlnTi clusters and their interaction with Ar.  Journal of Chemical Physics.  140:-. 2014-01-01
  • A new family of star-like icosahedral structures for small cobalt clusters.  Chemical Physics.  415:106-111. 2013-01-01
  • Antiferromagnetic-like coupling in the cationic iron cluster of thirteen atoms.  Physical Chemistry Chemical Physics.  15:14458-14464. 2013-01-01
  • Density functional study of ternary FexCoy Niz (x y z = 7) clusters.  Theoretical Chemistry Accounts.  132:1-12. 2013-01-01
  • 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.  56:331-337. 2012-01-01
  • Hydrogen interaction in Pd-Pt alloy nanoparticles.  Journal of Physical Chemistry C.  116:126-133. 2012-01-01
  • Structural, electronic, and magnetic properties of Co nCu m nanoalloys (m n = 12) from first principles calculations.  Journal of Physical Chemistry A.  116:9353-9360. 2012-01-01
  • Ab initio study of the adsorption of NO on the Rh 6 cluster.  Journal of Physical Chemistry A.  115:8350-8360. 2011-01-01
  • Hydrogen insertion in Pd core/Pt shell cubo-octahedral nanoparticles.  Physical Review B - Condensed Matter and Materials Physics.  83:-. 2011-01-01
  • Magnetic cooperative effects in small Ni-Ru clusters.  Journal of Physical Chemistry A.  115:13950-13955. 2011-01-01
  • Stability, structural, and magnetic phase diagrams of ternary ferromagnetic 3d-transition-metal clusters with five and six atoms.  Journal of Chemical Physics.  134:-. 2011-01-01
  • Structural and magnetic properties of X12 y (X, Y=Fe, Co, Ni, Ru, Rh, Pd, and Pt) nanoalloys.  Journal of Chemical Physics.  132:-. 2010-01-01
  • A density-functional study of the structures and electronic properties of neutral, anionic, and endohedrally doped Inx Px clusters.  Journal of Chemical Physics.  131:-. 2009-01-01
  • Mo4-x Fex nanoalloy: Structural transition and electronic structure of interest in spintronics.  Physical Review B - Condensed Matter and Materials Physics.  79:-. 2009-01-01
  • Stability, magnetic behavior, and chemical order of (Cox Fe1-x) N (N=5,13) nanoalloys.  Physical Review B - Condensed Matter and Materials Physics.  79:-. 2009-01-01
  • Study of the structural and electronic properties of RhN and RuN clusters (N < 20) within the density functional theory.  Journal of Physical Chemistry A.  113:13483-13491. 2009-01-01
  • A density-functional study of the structures, binding energies and magnetic moments of the clusters MoN (N = 2-13), Mo12Fe, Mo 12Co and Mo12Ni.  Nanotechnology.  19:-. 2008-01-01
  • Comparative ab initio study of the structural, electronic, and magnetic trends of isoelectronic late 3d and 4d transition metal clusters.  Physical Review B - Condensed Matter and Materials Physics.  78:-. 2008-01-01
  • Estudio de las propiedades electrónicas de cúmulos de Pd: Un estudio comparativo usando distintas técnicas y aproximaciones.  Revista Mexicana de Fisica.  54:149-161. 2008-01-01
  • Magnetic properties of Pd atomic clusters from different theoretical approaches.  European Physical Journal D.  44:125-131. 2007-01-01
  • Metallic behavior of Pd atomic clusters.  Nanotechnology.  18:-. 2007-01-01
  • Collinear versus noncollinear magnetic order in Pd atomic clusters: Ab initio calculations.  Physical Review B - Condensed Matter and Materials Physics.  74:-. 2006-01-01
  • Theoretical investigation of free-standing CoPd nanoclusters as a function of cluster size and stoichiometry in the Pd-rich phase: Geometry, chemical order, magnetism, and metallic behavior.  Physical Review B - Condensed Matter and Materials Physics.  74:-. 2006-01-01
  • Tight-binding and evolutionary search approach for nanoscale CoRh alloys.  Physica B: Condensed Matter.  370:200-214. 2005-01-01
  • Twining effects in the magnetism of small Pd clusters.  Solid State Communications.  133:573-578. 2005-01-01
  • Magnetic behaviour of selected geometries of Pd clusters: Icosahedral versus fcc structures.  Physics Letters, Section A: General, Atomic and Solid State Physics.  330:126-130. 2004-01-01
  • Magnetism in small Pd clusters.  Physics Letters, Section A: General, Atomic and Solid State Physics.  332:107-114. 2004-01-01
  • Structural and magnetic properties of CoRh nanoparticles.  Physical Review B - Condensed Matter and Materials Physics.  70:14410-1-014410-9. 2004-01-01
  • Effects of the structural deformations on the magnetism of Rh6 and Rh13 clusters.  Physics Letters, Section A: General, Atomic and Solid State Physics.  318:473-479. 2003-01-01
  • Magnetism in Rh clusters under hydrostatic deformations.  European Physical Journal D.  23:343-349. 2003-01-01
  • Structure and magnetism of cobalt clusters.  Physical Review B - Condensed Matter and Materials Physics.  67:-. 2003-01-01
  • Structure and magnetism of small rhodium clusters.  Physical Review B - Condensed Matter and Materials Physics.  66:2244101-22441010. 2002-01-01
  • Structure and magnetism of small rhodium clusters.  Physical Review B - Condensed Matter and Materials Physics.  66:1-10. 2002-01-01
  • Magnetic moments in Ni clusters with deformations.  Solid State Communications.  117:477-482. 2001-01-01
  • Magnetic interactions between small Ni clusters.  Solid State Communications.  116:309-314. 2000-01-01
  • Average magnetization and local magnetic moments of FeN clusters (N<230).  Physical Review B - Condensed Matter and Materials Physics.  60:434-439. 1999-01-01
  • Magnetic moments of Nin clusters (N ≤ 34): Relation to atomic structure.  European Physical Journal D.  6:235-241. 1999-01-01
  • Magnetic moments and metallic behavior of two-dimensional Ni clusters.  Revista Mexicana de Fisica.  44:34-38. 1998-01-01
  • Magnetic moments of Ni clusters.  Physical Review B - Condensed Matter and Materials Physics.  57:12469-12475. 1998-01-01
  • Nonmetal-metal transition in Ni clusters.  Solid State Communications.  104:635-639. 1997-01-01
  • Calculation of the magnetic properties of FeN clusters embedded in 3d transition-metal matrices.  Computational Materials Science.  2:463-467. 1994-01-01
  • Magnetic and electronic properties of substitutional FeN cluster impurities in Cr: Transition from antiferromagnetic to ferromagnetic FeN.  Physical Review B.  50:3899-3906. 1994-01-01
  • Calculated sp-electron and spd-hybridization effects on the magnetic properties of small FeN clusters.  Physical Review B.  47:4742-4746. 1993-01-01
  • Magnetic properties of small 3-d transition metal clusters: Role of the sp-electrons and spd-hybridization.  Nanostructured Materials.  3:359-363. 1993-01-01
  • Self-consistent theory of overlap interactions in the tight-binding method.  Physical Review B.  47:12995-12998. 1993-01-01
  • Theory of overlap interactions in transition metal surfaces: (001)-Ni.  Journal of Physics: Condensed Matter.  5:A129-A130. 1993-01-01
  • Vanadium: From cluster to semi-infinite crystal.  Journal of Applied Physics.  73:6207-6209. 1993-01-01
  • Stepped Fe(001) surface magnetism.  Journal of Magnetism and Magnetic Materials.  104-107:1687-1688. 1992-01-01
  • Antiferromagnetic interlayer coupling in Fe/V and Fe/Cr.  Journal of Applied Physics.  69:4544-4546. 1991-01-01
  • Calculation of electronic properties of the (100) surface of Fe including overlap interactions.  Surface Science.  251-252:55-58. 1991-01-01
  • Magnetic properties of 3d-transition-metal alloy clusters: (FexCr1-x)n.  Zeitschrift für Physik D Atoms, Molecules and Clusters.  19:263-265. 1991-01-01
  • Magnetic properties of semi-infinite systems of Cr(Fe) on a Fe(Cr) (001) surface.  Surface Science.  251-252:51-54. 1991-01-01
  • Self-consistent determination of surface and interface magnetism via the recursion method.  Progress in Surface Science.  35:51-54. 1990-01-01

• conference paper

  • Magnetic behavior of Pd nanoclusters.  Physica B: Condensed Matter. 271-277. 2004-01-01
  • Magnetic structure of cobalt clusters.  Journal of Alloys and Compounds. 93-96. 2004-01-01
  • Magnetism in segregated bimetallic CoRh nanoclusters.  Physica B: Condensed Matter. 278-281. 2004-01-01
  • Magnetism in small rhodium clusters under structural deformations.  Journal of Alloys and Compounds. 81-83. 2004-01-01