Dalton Transactions · 2017 · 13 citations · 46 references
Natural SciencesChemistryMaterials ScienceCrystal StructureInorganic ChemistrySolid-state ChemistryCoordination ChemistryMagnetic CharacterizationMagnetic Properties Of SolidsMagnetic SusceptibilityMagnetism In SolidsMagnetism Of Inorganic CompoundsCoordination Compound MagnetismMagnetic Properties Of Coordination ComplexesMagnetic Properties Of Transition Metal ComplexesMagnetism Of Transition Metal ComplexesMagnetostructural CorrelationsMolecular MagnetismSingle-crystal DiffractionSingle-crystal X-ray Diffraction
(u = x, y, z)), and this was explained by the tetragonal elongation of the octahedral geometry. The magnetostructural correlation was ascertained by both the angular overlap model calculation and the density functional theory calculation.
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General atomic and molecular electronic structure system
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A long-range-corrected time-dependent density functional theory
Yoshihiro Tawada, Takao Tsuneda, Susumu Yanagisawa et al. · The Journal of Chemical Physics · 2004 · 1.9K citations
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