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

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