Keywords: دولت چرخش; General solution of the Dirac equation; Spin state; Rashba spin splitting; Spin–orbit interaction; Quantum well; Two-dimensional electron gas
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Keywords: دولت چرخش; Metallocene; DFT; IR; Raman; Spin state; Electronic configuration
Cobalt spin states investigation of Ruddlesden-Popper La2âxSrxCoO4, using X-ray diffraction and infrared spectroscopy
Keywords: دولت چرخش; Ruddlesden-Popper; Jahn-Teller distortion; Spin state; XRD; IR spectroscopy;
Oxygen reduction reaction at porphyrin-based electrochemical catalysts: Mechanistic effects of pH and spin states studied by density functional theory
Keywords: دولت چرخش; pH effect; Spin state; Iron porphyrin catalysts; Oxygen reduction reaction; Fuel cells;
Magnetic control of single transition metal doped MoS2 through H/F chemical decoration
Keywords: دولت چرخش; MoS2; Transition-metal doping; Chemical decoration; Spin state;
Interrelation of transport properties, defect structure and spin state of Ni3+ in La1.2Sr0.8Ni0.9Fe0.1O4+δ
Keywords: دولت چرخش; La2NiO4; Defect structure; Spin state; Total conductivity; Seebeck coefficient; Hole mobility;
Structural, magnetic, electrical and electrochemical properties of SrCoO2.5, Sr9Co2Mn5O21 and SrMnO3 compounds
Keywords: دولت چرخش; SrCoO2.5; Sr9Co2Mn5O21 and SrMnO3; Cycling voltammogram; Spin state;
Oxo- and hydroxo-bridged diiron(III) porphyrin dimers: Inorganic and bio-inorganic perspectives and effects of intermacrocyclic interactions
Keywords: دولت چرخش; Porphyrin dimer; Photocatalysis; Oxo- and hydroxo-bridged dimer; Electronic structure; Spin state; Counter anion effect;
Co spin state and magnetic structure in GdBaCo2O5+x and Fe doped compounds: A first principles study
Keywords: دولت چرخش; GdBaCo2O5.5; Fe doping; Spin state; First principles calculations;
Theoretical study on temperature effect of electronic structure and spin state in LaCoO3 by using density functional theory
Keywords: دولت چرخش; LaCoO3; Spin state; Temperature effect; X-ray absorption spectra; Density of states; Density functional theory;
X-ray absorption spectroscopy and magnetic studies of Sr1âxCexMn1âyCoyO3âδ solid solutions
Keywords: دولت چرخش; X-ray absorption spectra; Manganites; Cobaltites; Magnetic moments; Spin state; Magnetic susceptibility; Néel temperature; Crystal-field multiplet calculations;
Spin state of cations and magnetoelastic effect in the Mn1âX YbXS
Keywords: دولت چرخش; Spin state; Magnetization curve; Magnetoelastic effect; Valence fluctuations;
Adsorption of NO on Pd and Pd2 supported at the regular and defective CdO (0 0 1) surfaces: Density functional theory study
Keywords: دولت چرخش; CdO; Surface reactions; NO; Pd; Pd2; Spin state; Charge transfer
Isolation and preliminary characterization of new cytochrome c from autotrophic haloalkaliphilic sulfur-oxidizing bacterium Thioalkalivibrio nitratireducens
Keywords: دولت چرخش; Cytochrome c; Alkaliphilic bacteria; Purification; Spectrum splitting; Spin state;
The relative signs of NMR proton–carbon coupling constants in quinolines
Keywords: دولت چرخش; Relative signs; Selective population transfer (SPT); Proton–carbon coupling constants; Spin state; Energy levels diagram; Quinolines
Nonlinear optical properties and spectroscopic characterization of aniline in singlet, triplet and quintet state using quantum chemical methods
Keywords: دولت چرخش; Aniline; Vibrational spectra; Spin state; NLO property; Finite field method;
Spin–spin interactions in iron(III) porphyrin radical cations with ruffled and saddled structure
Keywords: دولت چرخش; Iron(III); Porphyrin complexes; One-electron oxidation; Radical cation; Spin state
Quantum-chemical study of transition metal complexes with benzene-1,2-dithiolate
Keywords: دولت چرخش; DFT method; Electron structure; Non-innocent ligand; Oxidation state; Spin state;
Effect of chromium substitution on structure and magnetic properties of Bi2Fe4O9
Keywords: دولت چرخش; Bi2Fe4O9; Doping; Structure; Magnetic; Spin state
Possible magnetic ground state of the half doped perovskite compound R0.5Ce0.5CoO3 (R=Ca, Sr)
Keywords: دولت چرخش; Recursion method; Hartree-Fock approximation; Density of state; Perovskite compound; Spin state; Magnetic ground state;
Density functional theory calculations on Fe-O and O-O cleavage of ferric hydroperoxide species: Role of axial ligand and spin state
Keywords: دولت چرخش; Density functional theory; Ferric hydroperoxide; Axial thiolate; Spin state;
DFT study of substitution effect on the geometry, IR spectra, spin state and energetic stability of the ferrocenes and their pentaphospholyl analogues
Keywords: دولت چرخش; Ferrocene; Pentaphosphaferrocene; DFT; IR; Spin state; Energetics
A-site deficiency effects on the structural and magnetic properties of La0.7Sr0.3−x□xCoO3 cobaltites
Keywords: دولت چرخش; Cobaltites; Magnetic properties; Spin state; Deficiency
Syntheses and characterization of iron(II) and iron(III) complexes of a tripodal ligand derived from tris(2-aminoethyl)methane
Keywords: دولت چرخش; X-ray crystal structures; Mossbauer; Spin state; DFT; Conformation; Iron complexes
Factors that stabilize the (dxz,dyz)3(dxy)1(dz2)1(dxz,dyz)3(dxy)1(dz2)1 electron configuration in iron(III) porphyrinates: A case of bis(benzaldehyde) complex
Keywords: دولت چرخش; Iron(III); Porphyrin complexes; Spin state; Intermediate-spin; Electron configuration
Theoretical study on magnetic ground state in the perovskite CeCoO3
Keywords: دولت چرخش; 71.20.−b; 75.25.+z; 75.47.Gk; 75.50.−yRecursion method; Hartree–Fock approximation; Density of state; Spin state; Magnetic ground state; Tetravalent ions Ce
Structure and magnetism in deficient La0.7−x□xSr0.3CoO3 (0 ≤ x ≤ 0.2) perovskite cobaltites
Keywords: دولت چرخش; Cobaltites; Magnetic properties; Spin state; Deficiency
Theoretical study of the density of states and magnetic properties of electron-doped Sr1âxCexCoO3 compounds
Keywords: دولت چرخش; 71.20.âb; 75.25.+z; 75.47.Gk; 75.50.ây; Recursion method; Hartree-Fock approximation; Density of state; Doping concentration; Spin state; Magnetic ground state;
Effects of sodium doping on physical properties of La0.75Sr0.25âxNaxCoO3 (0⩽x⩽0.2) cobaltites
Keywords: دولت چرخش; Cobaltite; Magnetic properties; Magnetocaloric effect; Spin state;
Intramolecular spin interaction of 1,3-phenylene linked polyradicals bearing nitroxides in the π-conjugated polymeric main and side chains
Keywords: دولت چرخش; Polyradical; Nitroxide; 1,3-Phenylene; Intramolecular spin interaction; Spin state
Relationship between spin state of Co ions and thermopower in La1−xSrxCoO3(0⩽x⩽0.5)(0⩽x⩽0.5)
Keywords: دولت چرخش; 72.80.Ga; 72.15.Jf; 71.30.ThCobaltates; Spin state; Magnetic susceptibility; Thermopower
Ionic size effect on magnetic and electronic properties of La0.70A0.05Sr0.25CoO3 (A=La, Nd, Gd, Ho, Y)
Keywords: دولت چرخش; Crystal structure; Spin state; Metal-insulator transition; Magnetoresistance;
Spin magnetism of finite length zigzag carbon nanotubes
Keywords: دولت چرخش; 73.22.Dj; 75.75.+a; Finite length zigzag carbon nanotube; Spin state; Adsorption energy;
Sr2/3Y1/3CoO8/3+δ: Transition from insulating antiferromagnet to metallic ferromagnet by control of the oxygen content
Keywords: دولت چرخش; Cobaltite; Metal-transition oxide; Nonstoichiometry; Magnetism; Electronic transport; Thermoelectric power; Magnetoresistance; Metal to insulator transition; Cobalt; Spin state;