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