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

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