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A DFT and TD-DFT study of charge transport and non-linear optical properties of N-(4- methoxybenzylidene)isonicotinohydrazone, 2,2’-bipyridine and their Fe2+, Ni2+, Cu2+, Pd2+ and Pt2+ complexes

Charly Tsapi Tedjeuguim, Stanley Numbonui Tasheh, Caryne Isabelle Lekeufack Alongamo, Julius Numbonui Ghogomu

2022Journal of Chemical Sciences13 citationsDOI

Topics & Concepts

Density functional theoryHyperpolarizabilityAmbipolar diffusionExcited stateChemistryIonMoleculeBipyridineMarcus theoryPhysical chemistryComputational chemistryMaterials scienceElectronCrystallographyAtomic physicsPhysicsPolarizabilityOrganic chemistryReaction rate constantKineticsCrystal structureQuantum mechanicsNonlinear Optical Materials ResearchPhotochemistry and Electron Transfer StudiesOrganic Electronics and Photovoltaics
A DFT and TD-DFT study of charge transport and non-linear optical properties of N-(4- methoxybenzylidene)isonicotinohydrazone, 2,2’-bipyridine and their Fe2+, Ni2+, Cu2+, Pd2+ and Pt2+ complexes | Litcius