alloys analysis atomicstructure catalysis catalysts chemicalbonds chemicalkinetics chemistry chimiedel'étatsolide computersimulation conducteursprotoniquesàl'étatsolide congresses coordinationcompounds defects electricconductors electricproperties electrochemistry electronicceramics electronicstructure electrontransport energy energy-bandtheoryofsolids energybandtheoryofmetals energystorage energytransfer fuelcells general hartree-fockapproximation heterogeneouscatalysis highpressure(science) highpressurechemistry hightemperaturechemistry inorganic inorganiccompounds ioniccrystals latticetheory materials mathematicalmodels mechanics metalloproteins microclusters molecularstructure nanochemistry pharmaceuticalchemistry photochemistry physical physicalandtheoretical physicalorganicchemistry physics protons qd475 qd475s6861972 quantumchemistry reaction-diffusionequations relativity(physics) research science science/mathematics semiconductors solids solidstatephysics solidstateprotonconductors spectra theoretical transitionmetaloxides