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