DFT and TDDFT exploration on the role of pyridyl ligands with copper toward bonding aspects and light harvesting
Mukhtar Ahmed, Manoj Kumar Gupta, Azaj Ansari
Topics & Concepts
Time-dependent density functional theoryCopperDensity functional theoryChemistryComputational chemistryNanotechnologyMaterials scienceOrganic chemistryNonlinear Optical Materials ResearchSynthesis and Properties of Aromatic CompoundsAdvanced Physical and Chemical Molecular Interactions