selected publications
-
article
- 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, vibrational, and magnetic properties of FeCoOn0/%2b (n = 1-6) bimetallic oxide clusters. Journal of Physical Chemistry C. 119:11200-11209. 2015-01-01
- 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%2b 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
- 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
- Structural, electronic, and magnetic properties of Co nCu m nanoalloys (m %2b 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 %2b cluster. Journal of Physical Chemistry A. 115:8350-8360. 2011-01-01
- 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
- 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
- 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