Physical Chemistry Chemical Physics · 2016 · 66 citations · 33 references
Natural SciencesChemistryPhysicsComputational ChemistryQuantum ChemistrySpectroscopyAb Initio MethodsMolecular Orbital TheoryPhotochemistryPhotodynamic TherapyCancer Photodynamic TherapyEnergy Gap AnalysisExcitationHeavy Atom EffectMolecular PhotodynamicsPhotophysical MechanismsTriplet State ChemistryTriplet State Photochemistry
The influence of halogen atom substitution (Br and I), in different amounts and positions in an aza-BODIPY skeleton, on the photophysical properties of some aza-BODIPY derivatives has been investigated by using density functional theory and its time-dependent extension.
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13