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Ab initio computations of effective exchange integrals for H–H, H–He–H and Mn2O2 complex: comparison of broken-symmetry approaches

Chemical Physics Letters · 2000 · Vol. 319(3-4) · pp. 223–230
Tomohisa SodaYasutaka KitagawaTaku OnishiYu TakanoYasuteru ShigetaHirotaka NagaoYasunori YoshiokaKizashi Yamaguchi
Magnetism in coordination complexesAdvanced NMR Techniques and ApplicationsElectron Spin Resonance StudiesSuperexchangeAb initioDensity functional theoryAtomic orbitalSpin (aerodynamics)ChemistryHybrid functionalSymmetry (geometry)Computational chemistryAb initio quantum chemistry methods

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  • Ministry of Education, Culture, Sports, Science and Technology
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99%
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References
On the Paramagnetic Susceptibilities of Some Polynuclear Complex Salts
Journal of the Physical Society of Japan · 1950 · 660 citations
Superexchange interaction and symmetry properties of electron orbitals
Journal of Physics and Chemistry of Solids · 1959 · 3,268 citations
Zur Theorie des Ferromagnetismus
The European Physical Journal A · 1928 · 1,774 citations
An interpretation of the magnetic properties of the perovskite-type mixed crystals La1−xSrxCoO3−λ
Journal of Physics and Chemistry of Solids · 1958 · 1,342 citations
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