Phase transition Density functional theory Chemisorption Microstructure Magnesium oxides Oxygen Ab initio calculations Phonons Nanoparticles Local structure Oxides Magnetic properties of nanostructures NANOKIN code MgO EPR XPS Raman spectroscopy Iron compounds Magnetic properties Olivine Vibrational spectroscopy Numerical simulation studies Optical properties Chemical bonding Iron Lattice dynamics Scanning tunneling microscopy Adsorption Effets quantiques nucléaires Conduction bands Grazing incidence small angle X-ray scattering Carbon Structure Metal-insulator boundaries Antibacterial activity Water Quantum thermal bath Path integrals Ultra-thin films Argent ZnO Magnetic properties and materials Carbon monoxide oxidation FTIR spectroscopy Nucleation and growth Couches minces Gold nanoparticles Hydrogen bonds Clusters Faceting Metals Heterogeneous catalysis Solid-state dewetting Monolayers DFT Grazing incidence X-ray diffraction Silver Lithium-ion batteries 7322−f Quantum nuclear effects Metal/oxide interface Intégrales de chemin Miscibility gap Defects Li-ion batteries Interfaces Molecular dynamics Iron aluminide Platinum Magnesium oxide Edgeworth expansion Nanostructures Spinel Intercalation compounds Layered compounds Computer simulation Cobalt Metal oxide nanoparticles Lithium batteries Segregation Lithium compounds III-V semiconductors Dioxyde de titane Palladium GISAXS Force field Thin films Magnetron sputtering Oxidation Nanocrystal Magnesium compounds X-ray diffraction Out-of-equilibrium dynamic properties Nucleation FTIR Model catalyst Density functional calculations Nuclear quantum effects Raman spectra Surface science