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Frontier molecular orbital theoryOrbital overlapSingle bondComplete active spaceElectron pairChemistryOrganolithium reagentMolecular symmetryPhotoisomerizationMolecular geometryDiradicalOrganic compoundAlkeneSolutionSpecific rotationNucleophileMolecular physicsElectron donorFree-radical halogenationIonic compoundHydrogen iodideMoleculeDouble bondHydroxyl radicalIsotopologuePhi bondMolecular solidHelium dimerInorganic chemistryElectrophileChemical symbolCharge-transfer complexPi-interactionDiolIsomerCovalent bondHeteroatomDelta bondHydrateElectrosynthesisPhosphorylationPhosphideOrganocobalt chemistryMolecular modelMagnetochemistrySpectroscopic notationSubatomic particleDicarbonylHydrogen atomSquare planar molecular geometryAlcoholAtomic theoryMolecules in starsMolecular electronic transitionPyrophosphateTransition stateSupramolecular chemistryEquilibrium chemistryOrganosilicon compoundHalogenationPi bondLactolDoubly ionized oxygenGeminalHexeneCarbon compoundsHalogenOxygenateHomogeneous catalysisHydrogen halideChromophoreIsotopomersNatural bond orbitalOxidation statePropenylAtomic spectroscopyTransition state theoryMesomeric effectEpimerLigandElectron acceptorSulfur oxoacidClusterOxidative additionKetone halogenationSolvent effectsHydration reactionHydrogen-like atomDelocalized electronAtomic energyBioorganic chemistrySulfinic acidOrganic chemistryHexoseChiral drugsMethaniumNucleonCarboxylateRedoxDihydrogen cation