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Electronic structure and spectra of ruthenium diimine complexes by density functional theory and INDO/S. Comparison of the two methods

Journal of Organometallic Chemistry · 2001 · Vol. 635(1-2) · pp. 187–196
S.I. GorelskyA. B. P. Lever
Metal complexes synthesis and propertiesPhotochemistry and Electron Transfer StudiesElectrochemical Analysis and ApplicationsChemistryDensity functional theoryAtomic orbitalMolecular orbitalComputational chemistryRutheniumDiimineElectronic structureSolvatochromismTime-dependent density functional theory
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Electronic structure and spectra of ruthenium diimine complexes by density functional theory and INDO/S. Comparison of the two methods · Scinovex