Molecular structure, optical, first-order hyper polarizability, electronic properties, reactivity (ELF and LOL) − computational analysis using DFT and Multiwfn for 2, 3-diaminopyridinium selenate
R. Bhavani, S. Elangovan, G. Suresh, Sakthimurugan Sankar, N. Kanagathara, P. Revathi
Topics & Concepts
PolarizabilityReactivity (psychology)Electronic structureComputational chemistryDensity functional theoryChemistryMaterials scienceMoleculeOrganic chemistryAlternative medicinePathologyMedicineNonlinear Optical Materials ResearchOrganic Chemistry Cycloaddition ReactionsChalcogenide Semiconductor Thin Films