2008 journal article
Effects of spin-orbit coupling on magnetic properties of discrete and extended magnetic systems
JOURNAL OF COMPUTATIONAL CHEMISTRY, 29(13), 2187–2209.
2008 journal article
On the anisotropy of the magnetic properties of CsYbZnSe3
INORGANIC CHEMISTRY, 47(5), 1687–1692.
2007 journal article
On the relevance of an antiferromagnetic dimer model for the spin-gapped magnetic solids Cu(terpy)Mo2O7 and Cu(OH)(p-pyc)H2O
INORGANIC CHEMISTRY, 46(7), 2498–2502.
2006 journal article
Atomic orbitals in molecules: general electronegativity and improvement of Mulliken population analysis
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 8(3), 340–346.
2006 journal article
Characterization of the crystal and magnetic structures of the mixed-anion coordination polymer Cu(HCO2)(NO3)(pyz) {pyz = pyrazine} by X-ray diffraction, ac magnetic susceptibility, dc magnetization, muon-spin relaxation, and spin dimer analysis
INORGANIC CHEMISTRY, 46(1), 213–220.
2006 journal article
Comparison of the crystal structures and magnetic properties of the low- and high-temperature forms of AgCuPO4: Crystal structure determination, magnetic susceptibility measurements, and spin dimer analysis
INORGANIC CHEMISTRY, 45(14), 5501–5509.
2006 journal article
Electronic structure analysis of the difference between Cs2AgF4 and Rb2MnF4 in their magnetic properties and single-crystal structure determination of Rb2MnF4
CHEMISTRY OF MATERIALS, 18(14), 3281–3286.
2006 journal article
On the conflicting pictures of magnetism for the frustrated triangular lattice antiferromagnet CuFeO2
CHEMISTRY OF MATERIALS, 18(5), 1268–1274.
2006 journal article
On the disorder of the Cl atom position in and its probable effect on the magnetic properties of (CuCl)LaNb2O7
INORGANIC CHEMISTRY, 45(16), 6227–6234.
2006 journal article
On the origin of the metallic and anisotropic magnetic properties of NaxCoO2 (x approximate to 0.75)
INORGANIC CHEMISTRY, 45(15), 5989–5995.
2005 journal article
Analysis of the effect of spin-orbit coupling on the electronic structure and excitation spectrum of the Bi-2(2-) anion in (K-crypt)(2)Bi-2 on the basis of relativistic electronic structure calculations
JOURNAL OF PHYSICAL CHEMISTRY A, 109(8), 1675–1683.
2005 journal article
Analysis of the spin exchange interactions and the ordered magnetic structures of lithium transition metal phosphates LiMPO4 (M = Mn, Fe, Co, Ni) with the olivine structure
INORGANIC CHEMISTRY, 44(7), 2407–2413.
2005 journal article
Analysis of the uniaxial magnetic properties of high-spin d(6) ions at trigonal prism and linear two-coordinate sites: Uniaxial magnetic properties of Ca3Co2O6 and Fe[C(SiMe3)(3)](2)
INORGANIC CHEMISTRY, 44(12), 4407–4414.
2005 journal article
Dramatic variation of magnetic exchange through double end-on azide bridges in a series of ladder-like copper(II) coordination polymers
INORGANIC CHEMISTRY, 44(3), 638–648.
2005 journal article
Fermi-energy and minimum diameter for metallic silver cluster
International Journal of Modern Physics. B, Condensed Matter Physics, Statistical Physics, Applied Physics, 19(15-17), 2404–2408.
2005 journal article
Importance of supersuperexchange interactions in determining the dimensionality of magnetic properties. Determination of strongly interacting spin exchange paths in A(2)CU(PO4)(2) (A = Ba, Sr), ACuP(2)O(7) (Ba, Ca, Sr, Pb), CaCuGe2O6, and Cu2UO2(PO4)(2) on the basis of qualitative spin dimer analysis
INORGANIC CHEMISTRY, 44(12), 4359–4365.
2005 journal article
N-type electric conductivity of nitrogen-doped ultrananocrystalline diamond films
Physical Review. B, Condensed Matter and Materials Physics, 71(7).
2005 journal article
Size-dependent metal-nonmetal change of groups IB and IIB metal clusters
European Physical Journal. D, Atomic, Molecular and Optical Physics, 34(03-Jan), 105–107.
2005 journal article
Understanding the color properties of (C5H9NH3)(2)CuBr4 in high magnetic fields
PHYSICAL REVIEW B, 71(17).
2004 journal article
Classical spin and quantum-mechanical descriptions of geometric spin frustration
JOURNAL OF CHEMICAL PHYSICS, 121(2), 672–680.
2004 journal article
Investigation of the incommensurate and commensurate magnetic superstructures of LiCuVO4 and CuO on the basis of the isotropic spin exchange and classical spin approximations
INORGANIC CHEMISTRY, 43(13), 4026–4035.
2004 journal article
Mechanism of p-type-to-n-type conductivity conversion in boron-doped diamond
APPLIED PHYSICS LETTERS, 84(11), 1895–1897.
2004 journal article
Spin dimer and classical spin analyses of the ordered magnetic structures of alkali iron pyrophosphates NaFeP2O7 and LiFeP2O7
Dalton Transactions (Cambridge, England : 2003), (19), 3019–3025.
2003 journal article
A discussion on the apparently puzzling structural, electrical and magnetic properties of BaVS3
JOURNAL OF SOLID STATE CHEMISTRY, 175(2), 384–388.
2003 journal article
Analysis of the spin exchange interactions of ferromagnetic CdVO3 in terms of first principles and qualitative electronic structure calculations
JOURNAL OF SOLID STATE CHEMISTRY, 175(2), 341–347.
2003 journal article
Interpretation of the magnetic structures of Cu2Te2O5X2 (X = Cl, Br) and Ca3.1Cu0.9RuO6 on the basis of electronic structure considerations: Cases for strong super-superexchange interactions involving Cu2+ ions
Inorganic Chemistry, 42(12), 3898–3906.
2003 journal article
Investigations of the oxidation states and spin distributions in Ca3Co2O6 and Ca3CoRhO6 by spin-polarized electronic band structure calculations
SOLID STATE COMMUNICATIONS, 125(7-8), 413–417.
2003 journal article
Metal-ligand bonding and rutile- versus CdI2-type structural preference in platinum dioxide and titanium dioxide
JOURNAL OF SOLID STATE CHEMISTRY, 175(2), 353–358.
2003 review
Spin exchange interactions and magnetic structures of extended magnetic solids with localized spins: theoretical descriptions on formal, quantitative and qualitative levels
[Review of ]. JOURNAL OF SOLID STATE CHEMISTRY, 176(2), 417–481.
2003 journal article
Study on n-type doping with phosphorous in diamond by means of density functional theory
Materials Science & Engineering. B, Solid-State Materials for Advanced Technology, 99(03-Jan), 531–535.
2003 journal article
Surface passivant effects on electronic states of the band edge in Si-nanocrystals
SOLID STATE COMMUNICATIONS, 126(3), 103–106.
2003 journal article
The role of dangling-bond, hydrogen and adsorbate in diamond surface conduction
DIAMOND AND RELATED MATERIALS, 12(1), 15–19.
2003 journal article
Trends in the structure and bonding in the layered platinum dioxide and dichalcogenides PtQ(2) (Q = O, S, Se, Te)
JOURNAL OF SOLID STATE CHEMISTRY, 173(1), 114–121.
2002 journal article
Analysis of the electron localization, the anisotropy of electrical conductivity, the orbital ordering, and spin-exchange interactions in BaVS3 on the basis of first principles and semi-empirical electronic structure calculations
JOURNAL OF SOLID STATE CHEMISTRY, 165(2), 345–358.
2002 journal article
Effect of metal-ligand bond lengths on superexchange interactions in Jahn-Teller d(4) ion systems: Spin dimer analysis of the magnetic structure of marokite CaMn2O4
INORGANIC CHEMISTRY, 41(21), 5575–5581.
2002 journal article
Spin exchange interactions of a spin dimer: Analysis of broken-symmetry spin states in terms of the eigenstates of Heisenberg and Ising spin Hamiltonians
JOURNAL OF CHEMICAL PHYSICS, 118(1), 29–39.
2001 journal article
Spin-Hamiltonian and density functional theory descriptions of spin exchange interactions
JOURNAL OF CHEMICAL PHYSICS, 114(7), 2887–2893.
2001 journal article
Study on multiphoton processes in intense laser fields using the quadratic anharmonic Lie algebraic hamiltonian of diatomic molecule
CHEMICAL PHYSICS, 271(1-2), 71–78.
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