Quantum confinement Silver O ligands Electronic structure Density functional theory calculations Lanthanide Perovskites DFT calculation Perovskite DFT calculations Crystal structure Uranium complexes Superatoms Semiconductor Electron affinity DFT Isocyanurates Nonlinear optics Ab initio calculations Rare-earth metal boride carbide Rashba NLO Gold X-ray diffraction Palladium Photochromism Lanthanides Push-pull chromophores Magnetic properties Two-photon absorption Single Molecule Magnet Borides Computational chemistry Spin-orbit coupling Cluster compounds Charge transfer Iminopyridine Superatom Density functional calculations Broken symmetry Coordination chemistry NMR spectroscopy Crystal-structure Emission Half-wave potentials Hydrides Solar cells Magnetic anisotropy Magnetic exchange coupling Quantum wells Ruthenium Cluster Dysprosium Clusters Electron counting Hydride Mixed-valence Single molecule magnets Nanocluster Chromophores Molybdenum Single-molecule magnet Exciton Magnetism Density-functional theory Electronic properties Chemistry Photoluminescence Single-molecule magnets Hybrid perovskite Solar cell Phase diagram Td-dft GeTe Silicon Iron Hybrid perovskites Copper TD-DFT Nanoclusters Metallaborane Ligands Tetrathiafulvalene Boron Fluorescence Photophysical properties Photophysics Photovoltaics Photovoltaic Dyes Dielectric confinement Neutron diffraction Luminescence Electrochemistry Halide perovskites Transition metals Octupoles Density functional theory Rhenium Molybdenum clusters