DFT and TDDFT study of chemical reactivity and spectroscopic properties of M(TePh)2 [TMEDA] M=Zn, Cd, and Hg complexes
Nour El Houda Bensiradj, Azeddine Dekhira, Nafila Zouaghi, Ourida Ouamerali
Topics & Concepts
ChemistryTime-dependent density functional theoryDensity functional theoryReactivity (psychology)MetalLigand (biochemistry)Basis setSpectral lineComputational chemistryVisible spectrumZincInfrared spectroscopyCrystallographyOrganic chemistryMaterials sciencePhysicsBiochemistryReceptorAstronomyPathologyAlternative medicineMedicineOptoelectronicsMetal complexes synthesis and propertiesMolecular Junctions and NanostructuresCrystallography and molecular interactions