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