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