PaperFirst-principles molecular dynamics study of small molecules in zeolitesKarlheinz Schwarz, Ernst Nusterer, et al.Catalysis Today
PaperFirst-principles molecular dynamics study of small molecules in zeolitesKarlheinz Schwarz, Ernst Nusterer, et al.Catalysis Today
PaperAspects of defects in silica related to dielectric breakdown of gate oxides in MOSFETsPeter E. Blöchl, James H. StathisPhysica B: Condensed Matter
PaperFirst-principles investigation of enantioselective catalysis: Asymmetric allylic amination with Pd complexes bearing P,N-ligandsPeter E. Blöchl, Antonio TogniOrganometallics
