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