Theoretical studies on the formation of metallic silver nanostructures by electron...
Theoretical investigation of chiral molecules in the physicochemical properties of...
Ab-initio calculation and thermodynamic modeling of Mo-Si-B ternary system
Modeling and simulations of porous inorganic nanotubes functionalization
Ab initio study of structural, electronic and energetic properties of compounds fo...
Quantum modeling combined with experiments to unravel the influence of interface d...
Theoretical study of energetic molecules reactions in the presence of transition m...