1999 journal article
Calculations and analysis of the electronic structures of transition-metal phosphosilicides Cu4SiP8, IrSi3P3, CoSi3P3, and FeSi4P4
JOURNAL OF SOLID STATE CHEMISTRY, 147(1), 11–18.
1999 journal article
Characterization of the RuS2(100) surface by scanning tunneling microscopy, atomic force microscopy, and near-edge X-ray absorption fine structure measurements and electronic band structure calculations
JOURNAL OF PHYSICAL CHEMISTRY B, 103(22), 4649–4655.
1999 journal article
Distribution of the Se atoms in the layered compound Nb-3(Se1-xIx)I-7 studied by scanning tunneling microscopy and electronic structure calculations
JOURNAL OF PHYSICAL CHEMISTRY B, 103(18), 3626–3633.
1998 journal article
Characterization of the Fermi surface of the organic superconductor beta ''-(ET)(2)SF5CH2CF2SO3 by measurements of Shubnikov-de Haas and angle-dependent magnetoresistance oscillations and by electronic band-structure calculations
EUROPEAN PHYSICAL JOURNAL B, 1(3), 295–300.
1998 journal article
Description of ligand field splitting in terms of density functional theory: Calculations of the split levels of the F-2(5/2) and F-2(7/2) subterms in CeO and CeF under the weak field coupling scheme
JOURNAL OF CHEMICAL PHYSICS, 108(9), 3479–3488.
1998 journal article
Description of ligand field splitting in terms of density functional theory: Split levels of the lowest-lying subterms of the 4f(n-1)6s(2) (n=3-14) configurations in lanthanide monofluorides LnF (Ln=Pr-Yb)
JOURNAL OF CHEMICAL PHYSICS, 108(20), 8479–8484.
1998 journal article
Electron counting scheme relevant for late transition metal compounds with weakly electronegative ligands. Electronic band structure study of phosphosilicides PtSi3P2 and NiSi2P3
INORGANIC CHEMISTRY, 38(2), 340–345.
1998 journal article
Simulation of the scanning tunneling and atomic force microscopy images of a xanthine monolayer on graphite
SURFACE SCIENCE, 401(3), 476–481.
1997 journal article
Electronic band structure study of the transport properties of the intermetallic compounds ZrRuP and ZrRuSi
INORGANIC CHEMISTRY, 36(26), 6058–6063.
1997 journal article
Study of scanning tunneling microscopy images and probable relaxations of the SrTiO3(100) surface by electronic structure calculations
SURFACE SCIENCE, 370(2-3), 245–251.
1997 journal article
Study of the origin of superstructure patterns in the scanning tunneling images of perylene-3,4,9,10-tetracarboxylic-dianhydride on graphite by electronic structure calculations
SURFACE SCIENCE, 370(2-3), 252–258.
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