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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

Inorganic ChemistryAb Initio ComputationsEngineeringPhysicsNatural SciencesCoordination ComplexMolecular ComplexComputational ChemistryQuantum ChemistryChemistryEffective Exchange IntegralsElectronic StructureAb-initio MethodMn2o2 Complex