Chemical Physics Letters · 1992 · 125 citations · 10 references
Natural SciencesChemistryPhysicsComputational ChemistryCondensed Matter PhysicsPhysical ChemistryAb Initio MethodsBinding ThermodynamicsCoordination ChemistryCrystal ChemistryDensity Functional TheoryMolecular Orbital TheoryDoping Effects On Electronic PropertiesLennard-jones PotentialStructure-reactivity RelationshipsValence Effects
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