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