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

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