Angewandte Chemie International Edition · 2006 · 45 citations · 23 references
Natural SciencesChemistryPhysicsCondensed Matter PhysicsInorganic ChemistrySolid State PhysicsAb Initio MethodsChemical BondingElectronic Band StructureElectronic Structure Of SolidsTransition Metal ChemistryTransition Metal ComplexesBonding OrbitalsElectronic Band TheoryMetal Oxidation StatesOxidation State Effects On BondingOxidation StatesPeriodic Electronic Structure CalculationsTransition Metal Bonding
A negative disposition: Electronic-band-structure calculations reveal that in La2M2In (M=Pt, Cu) the transition-metal atoms can be regarded as anions with fully occupied nd orbitals and bonding characters similar to that of the Ge3− ions in La2Ge2In. The orbital sequence in La2M2In is (n+1)s<nd<(n+1)p, as a result of the low oxidation states of the transition metals (see graph).
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OK Andersen · Physical review. B, Solid state · 1975 · 6.5K citations · Full text
Explicit, First-Principles Tight-Binding Theory
O. K. Andersen, O. Jepsen · Physical Review Letters · 1984 · 2.8K citations
Natural Sciences, Chemistry, Physics +11
Relativity and the periodic system of elements
Pekka Pyykkö, Jean Paul Desclaux · Accounts of Chemical Research · 1979 · 1.1K citations