Navigation de collection par Sujet density functional theory
Montrant les résultats 1 à 3 de 3
Date de publication | Titre | Auteur(s) |
15-aoû-2011 | Effects of rhenium alloying on adhesion of Mo/HfC and Mo/ZrC interfaces: A first-principles study | SI ABDELKADER, H.; FARAOUN, H. I.; ESLING, C. |
mar-2011 | Structural, electronic, linear, and nonlinear optical properties of ZnCdTe2 chalcopyrite | Ouahrani, Tarik; Reshak, Ali H; Khenata, R; Baltache, H; Amrani, B; Bouhemadou, A |
jui-2011 | Understanding the kinetic solvent effects on the 1,3-dipolar cycloaddition of benzonitrile N-oxide: a DFT study | BENCHOUK, W.; MEKELLECHE, S. M.; SILVI, B.; AURELL, M. J.; DOMINGO, L. R. |