Superatom Transition metals N ligands Rhenium Iron DFT computations Superatoms Ruthenium Photophysics NMR spectroscopy Barium Hybrid perovskites Spin-orbit coupling Phase diagram Single molecule magnets Nonlinear optics Circularly polarized luminescence Semiconductor Borides Broken symmetry Density functional theory Nanoclusters Hybrid perovskite Solar cell Td-dft Cluster Photovoltaic Density functional theory calculations Electronic properties Ligands Pyrimidine Solar cells Band structure Silicon Calculations NLO Magnetic properties Tetrathiafulvalene Silver Copper Nanocluster Electron affinity Photovoltaics DFT calculation Density functional calculations Magnetic anisotropy Perovskites Single-molecule magnets Diazine TD-DFT 2D perovskites Molybdenum Lanthanide Phosphorescence Exciton Gold Crystal structure Luminescence X-ray diffraction Molybdenum clusters Rare-earth metal boride carbide Coordination chemistry Lanthanides Dysprosium Two-photon absorption Palladium Dyes Halide perovskites Crystal-structure Charge transfer Single-molecule magnet Chemistry Electrochemistry Absorption Photoluminescence Electron counting Organometallics Fluorescence Uranium complexes Clusters COSMO Computational chemistry Cluster compounds Boron Electronic structure Neutron diffraction Magnets Density-functional theory DFT calculations Single Molecule Magnet Rashba DFT Magnetism Dielectric confinement Quantum confinement Chromophores Crystallinity Hydride Perovskite Ab initio calculations