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