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- DFT 52
- Density functional calculations 33
- Luminescence 30
- DFT calculations 27
- Density functional theory 25
- Electronic structure 25
- Crystal structure 23
- Copper 20
- Magnetic properties 20
- Ab initio calculations 18
- Lanthanides 17
- X-ray diffraction 17
- Dysprosium 15
- Fluorescence 15
- Cluster compounds 14
- Nonlinear optics 14
- Two-photon absorption 14
- Nanoclusters 13
- Superatoms 13
- Molybdenum 12
- Boron 11
- Chemistry 11
- Ligands 11
- Materials science 11
- Coordination chemistry 10
- Perovskites 10
- Photovoltaics 10
- Ruthenium 10
- TD-DFT 10
- Chromophores 9
- Electrochemistry 9
- Hydride 9
- Iron 9
- Neutron diffraction 9
- Optoelectronics 9
- Palladium 9
- Solar cells 9
- Transition metals 9
- Crystallography 8
- Gold 8
- Halide perovskites 8
- Lanthanide 8
- Magnetic anisotropy 8
- Silver 8
- Single-molecule magnets 8
- Cluster 7
- Computational chemistry 7
- Exciton 7
- Hybrid perovskite 7
- Hybrid perovskites 7
- Magnetism 7
- Photoluminescence 7
- Physics 7
- Superatom 7
- Charge transfer 6
- Inorganic chemistry 6
- Perovskite 6
- Photophysics 6
- Single-molecule magnet 6
- Td-dft 6
- Tetrathiafulvalene 6
- Thermal conductivity 6
- Circularly polarized luminescence 5
- Clusters 5
- Crystal-structure 5
- Electron affinity 5
- Metal clusters 5
- NMR spectroscopy 5
- Organic chemistry 5
- Photovoltaic 5
- Quantum confinement 5
- Rashba 5
- Semiconductor 5
- Single molecule magnets 5
- Solar cell 5
- Spectroscopy 5
- Spin-orbit coupling 5
- Stereochemistry 5
- Absorption 4
- Borides 4
- Calculations 4
- Chirality 4
- Computer science 4
- Density functional theory calculations 4
- Electron counting 4
- Helicene 4
- Magnets 4
- Molybdenum clusters 4
- N ligands 4
- NLO 4
- NMR 4
- Nanocluster 4
- Organometallics 4
- Phase diagram 4
- Phosphorescence 4
- Pyrimidine 4
- Quantum chemistry 4
- Rare-earth metal boride carbide 4
- Rhenium 4
- Silicon 4
- Single Molecule Magnet 4
- Single-Molecule Magnet 4
- Supramolecular chemistry 4
- Thermoelectrics 4
- Uranium complexes 4
- Ytterbium 4
- 2D perovskite 3
- 2D perovskites 3
- Aluminum 3
- Band structure 3
- Barium 3
- Broken symmetry 3
- COSMO 3
- Catalysis 3
- Chemical physics 3
- Circular dichroism 3
- Cluster chemistry 3
- Condensed matter physics 3
- Crystallinity 3
- DFT and TD-DFT calculations 3
- DFT calculation 3
- DFT computations 3
- Defects 3
- Density-functional theory 3
- Diazine 3
- Dielectric confinement 3
- Diffraction 3
- Dyes 3
- Electrical conductivity 3
- Electron count 3
- Electronic properties 3
- Emission 3
- Excited states 3
- GeTe 3
- Half-wave potentials 3
- Halide 3
- Halide perovskite 3
- Hydrides 3
- Iminopyridine 3
- Iron compounds 3
- Isocyanurates 3
- Isotopes 3
- Magnetic couplings 3
- Magnetic exchange coupling 3
- Metallaborane 3
- Mixed-valence 3
- Molecule 3
- Molecules 3
- NBO 3
- Nickel oxide 3
- O ligands 3
- Octupoles 3
- Perovskite solar cells 3
- Photochromism 3
- Photophysical properties 3
- Photostability 3
- Photovoltaïque 3
- Polaron 3
- Porphyrinoids 3
- Push-pull chromophores 3
- Pérovskites 3
- Quantum mechanics 3
- Quantum wells 3
- Rhodium 3
- Single crystal 3
- Structure elucidation 3
- Thermoelectric 3
- Thermoelectric properties 3
- Thiophene 3
- Tight binding 3
- Two-photon absorption TPA 3
- Vibrational properties 3
- White-light emission 3
- ZORA 3
- ZORA/B3LYP 3
- ANTENNA LIGAND 2
- Ab initio 2
- Actinide complexes 2
- Agostic interactions 2
- Anharmonicity 2
- Anisotropy 2
- Antennas 2
- Antiferromagnetism 2
- Aza-BODIPY 2
- Azepine ligand 2
- Azo compounds 2
- Azobenzene 2
- BODIPY 2
- Band engineering 2
- Barium compounds 2
- Bimetallic 2
- Binary alloys 2
- Bioimaging 2
- Bioprobe 2
- Bonding analysis 2
- Borates 2
- Boride 2
- Borocarbide 2
- Boroxines 2
- Bridging ligands 2
- CO2 and CS2 activation 2
- COORDINATION-COMPLEXES 2
- CRYSTAL-STRUCTURE 2
- Caged compounds 2
- Carbide 2
- Cations 2
- Cell imaging 2
- Cellules solaires 2
- Chemical bonding 2
- Chemical structure 2
- Chimie quantique 2
- Chiral Schiff bases 2
- Cluster compound 2
- Cobalt 2
- Coloring problem 2
- Complexes 2
- Coordination modes 2
- Copper compounds 2
- Copper triangles 2
- Cristallographie 2
- Crystal field 2
- Crystal structures 2
- Cyclic voltammetry 2
- Density Functional Calculations 2
- Diynyl 2
- Doping additives 2
- Dye sensitized solar cells 2
- Dysprosium compounds 2
- EPR spectroscopy 2
- Elasticity 2
- Electron microscopy 2
- Electron transfer 2
- Electronic coupling 2
- Energy 2
- Engineering 2
- Erbium 2
- Europium 2
- Excited state 2
- Excited-states 2
- Excitonic coupling 2
- Excitons 2
- First hyperpolarizability 2
- GIPAW 2
- Gallium 2
- Galvanic replacement 2
- Ground state 2
- HLS 2
- Haptotropic shifts 2
- Helicenes 2
- Hybrid materials 2
- Hydrogen evolution reaction 2
- Hydrogenation-dehydrogenation mechanism 2
- Hysteresis 2
- Insertion reactions 2
- Intramolecular charge transfer 2
- Ionization energy 2
- Isomerism 2
- Isotopic enrichment 2
- LED 2
- Layered compounds 2
- Layered materials 2
- Lead 2
- Ligand exchange 2
- Light emitting diodes 2
- Luminescent 2
- Magnetic coupling 2
- Magnetic exchange 2
- Magnetic measurements 2
- Mass spectrometry 2
- Materials 2
- Metal-metal bond 2
- Metallaborane complexes 2
- Metallurgy 2
- Mixed valence 2
- Modeling 2
- Molecular docking 2
- Molecular dynamics 2
- Molecular orbitals 2
- Molécule aimant 2
- Multidimensional intramolecular charge transfer 2
- Multiphoton processes 2
- N 2
- Nanotechnology 2
- Near-infrared dyes 2
- Nickel 2
- Nonlinear Optics 2
- Nonlinear optical properties 2
- ORGANIC-MOLECULES 2
- Octupole 2
- Optical absorption 2
- Optical properties 2
- Optical spectra 2
- Optical-properties 2
- Organometallic 2
- Oxygen 2
- PUSH-PULL CHROMOPHORES 2
- Pentalene 2
- Perovskite structure 2
- Phonon 2
- Phonons 2
- Platinum 2
- Platinum II complexes 2
- Polymerization 2
- Polymers 2
- Preparation 2
- QSAR 2
- Quantum chemical calculations 2
- Radicals 2
- Rare-earth metal 2
- Rare-earth metal magnetism 2
- Reduced molybdenum selenide 2
- Rhenium complex 2
- SINGLE-MOLECULE MAGNET 2
- Self-assembly 2
- Semiconductors 2
- Single crystals 2
- Single molecule magnet 2
- Single-crystal X-ray diffraction 2
- Singlet oxygen 2
- Solid state NMR 2
- Solid-state NMR 2
- Solid-state structures 2
- Spin frustration 2
- Stability 2
- Structural arrangements 2
- Structure 2
- Structure determination 2
- Sulfides 2
- Super-exchange 2
- Superatomes 2
- Supermolecules 2
- Surface 2
- Synthetic methods 2
- TPA 2
- TTF 2
- Tandem solar cells 2
- Tantalum 2
- Tellurium 2
- Thin film 2
- Thin films 2
- Time-dependent density functional theory 2
- Toluene 2
- Transition metal 2
- Transition metal clusters 2
- Transport 2
- Triads 2
- Two photon absorption 2
- Two-photon 2
- Two-photon microscopy 2
- Uncaging 2
- Vibronic coupling 2
- 1 1
- 1-10-Phenantroline-5-6-dione 1
- 151Eu Mössbauer spectroscopy 1
- 1D Bi perovskite 1
- 1ST HYPERPOLARIZABILITIES 1
- 2+2 cycloaddition 1
- 2-PHOTON ABSORPTION 1
- 2-Thenoyltrifluoroacetone 1
- 23Na 1
- 27 1
- 2D Coordination Polymers 1
- 2D iodide double perovskite 1
- 2D perovskite stability 1
- 2D semiconductors 1
- 3 + 2 cycloaddition 1
- 35Cl NMR 1
- 3D hybrid perovskite 1
- 3D network 1
- 3d-5f-3d complexes 1
- 4-Diethynylbenzene-Bridged CpdppeFen+ Units Effect of 2 1
- 5-Ethynyl Groups on the Chemical and Electronic Properties 1
- 5f Orbitals 1
- 81/79Br NQR 1
- 93Nb NMR 1
- 93Nb NQR 1
- A 1
- A1-Computer simulation 1
- A1-Crystal structure 1
- A1-Growth models 1
- A2-Growth from solutions 1
- A2-Single crystal growth 1
- AB-INITIO 1
- ABSORBING FLUORENE DERIVATIVES 1
- ABSORPTION CROSS-SECTIONS 1
- ADMET 1
- ANISOTROPY 1
- APPROXIMATION 1
- ASSEMBLIES 1
- ATOMIC CHARGES 1
- Ab Initio Calculations 1
- Ab initio calculation 1
- Ab initio investigation 1
- Ab initio molecular dynamics 1
- Ab-Initio 1
- Ab-initio calculations 1
- Absorber 1
- Absorption NIR 1
- Absorption spectra 1
- Absorption spectroscopy 1
- Acene 1
- Acetylides 1
- Actinide cations 1
- Actinides 1
- Activation analysis 1
- Activation of H-H bond 1
- Adaptive coordination 1
- Additive engineering 1
- Aggregation 1
- Aggregation-induced enhanced emission 1
- Akdas-Kiliç 1
- Al-doping 1
- Alginate oligo saccharides 1
- Alginate polysaccharides 1
- Alkaline earth metals 1
- Alkaline-earth metals 1
- Alkynyl complexes 1
- Allotropes 1
- Alloys 1
- Alpha-FAPI 1
- Alternative medicine 1
- Aluminium compounds 1
- Aluminum clusters 1
- Aluminum compounds 1
- Amar 1
- Amide 1
- Amorphous materials 1
- Analogs 1
- Anharmonic molecular vibration Conformation IR spectra Internal rotation Methyl group Molecular vibration Neutron diffraction Raman spectra Rotamers Tunneling Vibrational frequency Vibrational spectra 1
- Anilates 1
- Anion encapsulation 1
- Anion encapsulation d10-metal clusters Diseleno ligands Structure Bonding 1
- Anions 1
- Anisotropie magnétique 1
- Annealing and Sintering 1
- Annealing metallurgy 1
- Annulenes 1
- Année internationale de la lumière 1
- Antenna effect 1
- Anti-cancer 1
- Antiferromagnetic orderings 1
- Antimony 1
- Applied magnetic fields 1
- Asymmetric siloxanes 1
- Atomic physics 1
- Atomically precise nanoclusters 1
- Atoms in molecules 1
- Atropisomerism 1
- Augmented-wave method 1
- Aurophilicity 1
- Axial anisotropy 1
- Aza-bodipy dyes 1
- Aza-boron dipyrromethene derivatives 1
- AzaAlDIPY 1
- AzaBODIPY 1
- AzaGaDIPY 1
- Azaacene 1
- Azadipyrrin 1
- Azides 1
- Azido complex 1
- B-H activation 1
- B1-Aromatic compounds 1
- BEHAVIOR 1
- BINOL 1
- BORICO 1
- Ba-doping 1
- Band alignement 1
- Band alignment 1
- Band energy alignment 1
- Band-gap 1
- Benzothiadiazole 1
- Beryllium 1
- Beta-diketone 1
- Bethe−Salpeter equation 1
- Bifuran 1
- Bimetallic complexes 1
- Bimetallic strip 1
- Binding energies in exciton complexes 1
- Binol 1
- Binuclear compounds 1
- Binuclear uranium complexes 1
- Biochemistry 1
- Bipyridine ligands 1
- Bipyrrole 1
- Bis-dipole 1
- Bishomocubanes 1
- Bismuth 1
- Bismuth compounds 1
- Bisphosphate 1
- Bispyrans 1
- Bisthiolate uraniumIV complexes 1
- Bisurea 1
- Bithiophenes 1
- Blocking temperature 1
- Bodipy dyes 1
- Bond Activation 1
- Bond analysis 1
- Bond cleavage 1
- Borane 1
- Boranes 1
- Borocarbides 1
- Boron carbide 1
- Boron clusters 1
- Boron compounds 1
- Boron difluoride complex 1
- Boron insertion 1
- Boron-carbide 1
- Borosilicide 1
- Boroxine 1
- Boucekkine 1
- Branched conjugated chromophores 1
- Bridge-centered radicals 1
- Bridging angle 1
- Brillouin-zone integrations 1
- Broken Symmetry 1
- Building blockes 1
- C-C coupling 1
- C59n2 1
- CBONDH activation 1
- CC2 1
- CENS 1
- CF bond activation 1
- CHARGE-TRANSFER 1
- CISS effect 1
- CN-Coordination isomerism 1
- CONDUCTORS 1
- CORRELATED CHROMOPHORES 1
- CROSS-SECTIONS 1
- CRYSTAL-STRUCTURES 1
- Cadmium vanadyl phosphate prepn crystal structure 1
- Caesium 1
- Caged 1
- Caged glutamate 1
- Caging reactions 1
- Calcium 1
- Calorimetry 1
- Car-Parrinello 1
- Caractérisation structurale 1
- Carbaalanes 1
- Carbazolate 1
- Carbocations 1
- Carbodiimides 1
- Carbon chain 1
- Carbon-rich compounds 1
- Carbon-rich compounds Density functional theory Electronic structure Organometallic complexes Organometallic wires Spin density 1
- Carbon-rich systems 1
- Carbonyl clusters 1
- Carbonyl telluride 1
- Carboxylates 1
- Carboxylic Acids/chemistry 1
- Casscf/caspt2/rassi-So 1
- Cathodoluminescence 1
- Cation insertion 1
- Cation rotations 1
- Cavity microelectrode 1
- Cellule Solaire 1
- Centered cuboctahedra 1
- Centered cuboctahedron 1
- Cesium 1
- Chalcogen 1
- Chalcogenide glass 1
- Chalcogenide glasses 1
- Chalcogenides 1
- Chalcogens 1
- Chalcohalide 1
- Characterization materials science 1
- Charge Transfer 1
- Charge separation 1
- Charge transfer process 1
- Charge-transfer excitations 1
- Chelate 1
- Chemical engineering 1
- Chemical pressure 1
- Chemical risk assessment 1
- Chemical risk assessment chemical risk matrix expert elicitation real work situation 1
- Chemical risk matrix 1
- Chemical shift 1
- Chimie Analytique 1
- Chimie computationnelle 1
- Chimie de coordination 1
- Chimie inorganique 1
- Chiral ancillary ligand 1
- Chiral perovskites 1
- Chiral symmetry breaking 1
- Chiro-spintronics 1
- Chiroptical properties 1
- Chiroptical property 1
- Chirping 1
- Chloranil 1
- Chlorine compounds 1
- Chromaborane 1
- Chromium 1
- Chromium tricarbonyl complexes with polyaromatic ligands 1
- Circular Dichroism 1
- Circular dichroisme 1
- Circularly Polarized Luminescence 1
- Circularly polarised luminescence 1
- Cis and trans 1
- Cis-trans isomerism 1
- Classical mechanics 1
- Click 1
- Click reactions 1
- Cluster Compounds 1
- Cluster intermediates 1
- Cluster spacecraft 1
- Cluster-based hybrid nanomaterials 1
- Clusters compounds 1
- Clusters de métaux de transition 1
- Clusters métalliques stabilisés par des ligands chalcogénure 1
- Clustomesogen 1
- Co-crystallization 1
- Co-reduction 1
- CobaltII 1
- Coinage metals 1
- Colorant 1
- Combinatorial chemistry 1
- Competitor 1
- Complexes de coordination 1
- Composite 1
- Composite material 1
- Compositenanomaterial 1
- Computational exploration 1
- Computational investigation 1
- Computer network 1
- Condensed Matter Physics 1
- Conductivity 1
- Configuration interaction methods 1
- Conformation 1
- Conformers 1
- Conjugated bridges 1
- Conjugated structures 1
- Conjugated systems 1
- Contrôle solaire 1
- Cooperative effect 1
- Cooperative effects 1
- Coordination Chemistry 1
- Coordination Polymers 1
- Coordination complexes 1
- Coordination reactions 1
- Coordination-compounds 1
- Coordination-driven 1
- Copper alloys 1
- Copper cluster fused bi-cuboctahedra hyper coordination dithiocarbamate 1
- CopperI coordination polymer 1
- CopperII 1
- Core Isomerism 1
- Correlated relativistic ab initio calculations 1
- Corrélation magnéto-structurale 1
- Coumarin 1
- Counter-cations 1
- Coupling piping 1
- Coupling reactions 1
- Crystal atomic structure 1
- Crystal growth 1
- Crystal programming language 1
- Crystal structure Magnetic anisotropy Magnetic hysteresis Magnetic relaxation Magnetic susceptibility Molecular structure 1
- Crystal structure dimetallaborane Group 6 element chalcogen cluster erratum 1
- Crystal-field splitting 1
- Crystallisation 1
- Crystallization 1
- Crystals 1
- CsPbBr3 QDs 1
- Cu 6 cluster 1
- Cu2OBr2 1
- Cu2OCl2 1
- Cu2OI2 1
- CuAAC 1
- Cubane 1
- Cubane complexes 1
- Cuboctahedron 1
- Cumulenes 1
- Curie’s Principle 1
- Cyanide 1
- Cyanides 1
- Cyanine 1
- Cyanine dyes 1
- Cyanine limit 1
- Cyclic Voltammetry 1
- Cyclic thioureas 1
- Cyclic urea 1
- Cyclometallated iridiumIII complexes 1
- Cyclononatetraenyl 1
- Cyclopentadienyls 1
- C–H bond activation 1
- D10-d10 interaction 1
- DENSITY-FUNCTIONAL THEORY 1
- DENSITY-FUNCTIONAL-THEORY 1
- DERIVATIVES 1
- DESIGN 1
- DFT Calculations 1
- DFT and TDDFT calculations 1
- DFT and ab initio 1
- DFT studies 1
- DFT study 1
- DIFFaX+ 1
- DINUCLEAR 1
- DIPOLE POLARIZABILITY 1
- DNA/RNA Binding 1
- DYSPROSIUMIII COMPLEX 1
- Defects and doping 1
- Defects in solids 1
- Dehydrocoupling 1
- Dehydrocoupling catalysis 1
- Delocalization index 1
- Dendrimer 1
- Density Functional Theory 1
- Density functional calulations 1
- Density-functional calculations 1
- Derivatives 1
- Design of ligands 1
- Determinants 1
- Dft 1
- Dft calculations 1
- Diammonium cation 1
- Diarylethene 1
- Diazine-Based fluorophores 1
- Dichloromethane 1
- Dichroism 1
- Dichroïsme circulaire 1
- Dichroïsme magnéto-Chiral 1
- Dielectric 1
- Dielectric constant 1
- Diels-alder reaction 1
- Diketonate complex 1
- Diketopyrrolopyrrole 1
- Dimers 1
- Dimetallaborane 1
- Dimetallaborane cluster Group 6 prepn structure optimized geometry erratum 1
- Dimetallapentaborane 1
- Dipolar dyes 1
- Dipole 1
- Dipoles 1
- Dipyrromethene 1
- Diradical 1
- Dithioacetate 1
- Dithiolates 1
- Dithiophosphate 1
- DiuraniumV complexes 1
- Divalent cation 1
- Divalent thulium 1
- Donor and acceptor 1
- Donor-acceptor dyads 1
- Doping 1
- Doping concentration 1
- Dresselhaus 1
- Drift diffusion simulation 1
- Drift–diffusion 1
- Durand 1
- Dyad 1
- Dye-sensitized solar cell 1
- Dynamic chirality 1
- Dynamics 1
- Dynamique moléculaire ab initio 1
- Dysprosium complexes 1
- Dzyaloshinskii-Moriya interaction 1
- Dzyaloshinskii–Moriya interaction 1
- Défauts 1
- EFISH 1
- ELECTRON-DENSITIES 1
- ELECTRON-TRANSFER 1
- ELECTRONIC EXCITATIONS 1
- ELECTRONIC-STATE STRUCTURES 1
- ELECTRONIC-STRUCTURE 1
- ELF 1
- ELNES energy loss near-edge structure analysis 1
- ENERGY-TRANSFER 1
- ENHANCED 2-PHOTON ABSORPTION 1
- ESR 1
- EXCITED-STATE 1
- EXPERIMENTAL ELECTRON-DENSITY 1
- Early transition metals 1
- Effective Hamiltonian theory 1
- Effective mass 1
- Effets relativistes 1
- Efficiency 1
- Efficient photosensitizers 1
- Electric field gradient 1
- Electric polarization 1
- Electrical energy 1
- Electrical engineering 1
- Electrical resistivity 1
- Electrical transport 1
- Electro-activity 1
- Electrochem 1
- Electrochem and redox modulation of magnetic relaxation of dinuclear dysprosium thenoyltrifluoroacetonate complex with ruthenium acetylide ligand SMM 1
- Electrochemical behaviour 1
- Electrodynamics 1
- Electron 1
- Electron Counting 1
- Electron counting rules 1
- Electron counts 1
- Electron localizability indicator 1
- Electron-counting rules 1
- Electron-donating 1
- Electron-phonon interaction 1
- Electron-transfer rates 1
- Electronic Structure 1
- Electronic absorption 1
- Electronic circular dichroism 1
- Electronic dimension 1
- Electronic structures 1
- Electronic transport 1
- Electronic transport properties 1
- Electronic-structure 1
- Electrons 1
- Electronwithdrawing 1
- Electrophilic anion 1
- Electrostatic potential 1
- Electrostatics 1
- Electrostriction 1
- Elevated temperature 1
- Enantiomer 1
- Enantioselective synthesis 1
- Encapsulated chalcogen 1
- Endohedral 1
- Energy conversion 1
- Energy decomposition analysis 1
- Energy splitting 1
- Energy storage 1
- Energy transfer 1
- Energy-transfer 1
- Engineering or chemical process 1
- Engineering physics 1
- Environmental science 1
- Erratum metallaborane cluster Group 6 prepn structure optimized geometry 1
- Ethylenediamine 1
- Europium complexes 1
- EuropiumIII 1
- Exchange coupling 1
- Exchange interaction 1
- Excitation 1
- Excitation-energies 1
- Exciton binding energy 1
- Exciton energy alignment 1
- Expert elicitation 1
- Extended Framework 1
- Extended Hückel tight-binding calculations 1
- Extended-tetrathiafulvalene 1
- F-complexes 1
- FAM pulse sequences 1
- Feii complexes 1
- Femtosecond transient absorption pump-probe spectroscopy 1
- Fermi contact 1
- Fermi level alignment 1
- Ferrocenyl-bichalcone 1
- Ferrocenyl-chalcone 1
- Ferroelectric 1
- Ferroelectric materials 1
- Ferroelectric property 1
- Ferroelectricity 1
- Ferromagnetic behaviors 1
- Ferromagnetic coupling 1
- Ferrous Compounds/chemistry 1
- Few states models 1
- Fiber texture 1
- Fillaut 1
- Film stability 1
- Films 1
- First-order spin–orbit coupling 1
- First-principles calculation 1
- First-principles calculations 1
- First-principles investigations 1
- First-principles simulations 1
- Fischer type carbene complexes 1
- Floating-gate transistor 1
- Floating-gate transistors 1
- Fluorene linker 1
- Fluorescence Retardée Activée Thermiquement TADF 1
- Fluorescent 1
- Fluoride 1
- Fluorine compounds 1
- Fluoro- nitro- spirooxindole-pyrrolidine 1
- Fluoroborates 1
- Fluorophores à base de diazines 1
- Foldamers 1
- Formamidinium 1
- Formation enthalpy 1
- Formic acid 1
- Fractionalization 1
- Frenkel exciton model 1
- Frenkel-exciton model 1
- Frequency dependent nonlinear polarizabilities 1
- Frustrated magnetism 1
- Fullerene-based semiconductors 1
- Fullerenes 1
- Fulvalenes 1
- Fulvenes 1
- Furanics 1
- Furoxan derivatives 1
- GGA+U 1
- GIC's 1
- Gallium compounds 1
- Gas sensor 1
- General Chemistry 1
- General Materials Science 1
- Generalized gradient approximation 1
- Glass-ceramics 1
- Glutamate release 1
- Gold Nanoclusters 1
- Gold alloys 1
- Gold nanoparticles 1
- GoldIII 1
- Goldschmidt factor 1
- Granular materials 1
- Graphene 1
- Green chemistry 1
- Group 11 1
- Group 13 1
- Group theory 1
- H 1
- H2 activation 1
- HIGH PRESSURE 1
- HYDRODESULFURIZATION CATALYSTS 1
- HYPERPOLARIZABILITIES 1
- Haeckelite 1
- Halides 1
- Halogenated perovskite 1
- Halogens 1
- Haptotropic migrations 1
- Heat transfer 1
- Heavy metals 1
- Heavy-atom 1
- Helical Orbitals 1
- Helicates 1
- Helicene ligands 1
- Heme/chemistry 1
- Hetero-structures 1
- Heteroatom doping 1
- Heteroatomic 1
- Heteroatoms 1
- Heterocycles 1
- Heterojunction 1
- Heterometallic 1
- Heterometallic complexes 1
- Heterostructure 1
- High pressure 1
- High thermal conductivity 1
- Highly fluorescent 1
- High‐resolution powder diffraction 1
- Hirshfeld analysis 1
- Hole transport 1
- Hollandite 1
- Homogeneous catalysis 1
- Homologous series 1
- Host-guest 1
- Host–guest chemistry 1
- Hot-casting 1
- Hybrid Organic Perovskite 1
- Hybrid Perovskite 1
- Hybrid Perovskites 1
- Hybrid organic-inorganic 1
- Hydroboration 1
- Hydrocarbons 1
- Hydrogen 1
- Hydrogen bond 1
- Hydrogen bonds 1
- Hydrogen-sulfide 1
- Hydrogenation catalysts 1
- Hydrostatic pressure 1
- Hydrothermal synthesis 1
- Hypercloso clusters 1
- Hyperfine coupling 1
- III-V semiconductors 1
- INTRAMOLECULAR CHARGE-TRANSFER 1
- IONIC PHASE-TRANSITION 1
- IR spectroscopy 1
- Icosahedral structures 1
- Icosahedral symmetry 1
- Ideal-bandgap 1
- Ilmenite 1
- Imidazolinium salts 1
- Imine-enamine 1
- Incident intensity 1
- Inclusion complex 1
- Inclusion complexes 1
- Indenyl complexes 1
- Indenyl ligand 1
- Infrared 1
- Infrared radiation 1
- Inorganic Chemistry 1
- Inorganic materials 1
- Inorganic perovskite solar cells 1
- Inter-ring haptotropic rearrangement 1
- Inter-ring haptotropic rearrangements IRHR 1
- Intercalated Graphite 1
- Intercalation chemistry 1
- Interface 1
- Intermediate phases 1
- Intermetallic compounds 1
- Intermetallic europium compounds 1
- International year of light 1
- Interring haptotropic rearrangements 2 1
- Intramolecular Charge Transfer 1
- Intramolecular charge transfer ICT 1
- Intramolecular charge transfers 1
- Intramolecular rearrangement 1
- Intrinsic chirality 1
- Intrinsic luminescence 1
- Intrinsic stability 1
- Iodide 1
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