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Iminopyridine ANTENNA LIGAND Chalcohalide DFT calculations Azo compounds Hybrid perovskite Hysteresis Nonlinear optics Dyes Borocarbide Isomerism Cluster Silicon GIPAW Cluster compounds Exciton Single-molecule magnets Haptotropic shifts Transition metals COSMO Magnetic anisotropy Photovoltaics Density functional theory calculations Molybdenum clusters Thermoelectric properties O ligands Chemistry NLO Density-functional theory Boride Cellules solaires Cobalt Ligands Agostic interactions ZORA Electronic structure Clusters Computational chemistry Molybdenum Solar cell DFT Perovskite Crystal structure Bridging ligands Fluorescence Rhenium Hybrid materials Two-photon absorption TPA Solar cells Rare-earth metal boride carbide Coloring problem Rashba Crystal-structure Density functional calculations EPR spectroscopy Borates Uranium complexes Coordination chemistry Diynyl Excited-states Quantum wells Photovoltaic Ab initio calculations Charge transfer Electron counting Spin-orbit coupling Phase diagram TD-DFT Electron microscopy CRYSTAL-STRUCTURE Iron Lanthanides Absorption Hydrogenation-dehydrogenation mechanism Borides NMR spectroscopy Complexes Broken symmetry Coordination modes Two-photon absorption Azepine ligand Copper Td-dft X-ray diffraction Boron COORDINATION-COMPLEXES Carbide Half-wave potentials Hybrid perovskites Electron affinity Magnetic properties Dysprosium Electrochemistry Nanoclusters Caged compounds Ruthenium Chromophores Density functional theory Magnetism Luminescence

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