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