Journal of Molecular Structure THEOCHEM · 1998 · 65 citations · 20 references
Natural SciencesChemistryPhysicsComputational ChemistryCrystal StructurePhysical ChemistryAb Initio MethodsCrystal ChemistryDensity Functional TheoryMolecular Orbital TheoryMolecular VibrationVibrational StructureAb Initio CalculationsAb Initio Molecular CalculationsElectronic Structure DeterminationFirst-principles Electronic StructureVibrational Structure Calculations
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