Advances In Physics · 1976 · 259 citations · 44 references
EngineeringPhysicsNatural SciencesQuantum Mechanical PropertyClassical ConceptPhilosophy Of ChemistrySpectra-structure CorrelationPhysical ChemistryQuantum TheoryQuantum BiologyComputational ChemistryQuantum ChemistryChemistryElectronic StructureMolecular Spectroscopy
Abstract An attempt is made to refine the classical concept of molecular structure in the light of quantum theory. It is argued that a definite molecular structure can only be associated with quantum states that are intrinsically time-dependent and therefore need not manifest the full symmetry implied by the relativity principle; conversely if a molecule is definitely observed in an eigenstate of its associated molecular Schrödinger equation, a molecular structure description is inappropriate. The theme of the article is illustrated with examples drawn from spectroscopy, dielectric phenomena, electron scattering, stereoisomerism and optical activity.
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