PaperElectric-field-gradient calculations using the projector augmented wave methodHelena M. Petrilli, Peter E. BlöchlPhysical Review B - CMMP
PaperFirst-principles investigation of enantioselective catalysis: Asymmetric allylic amination with Pd complexes bearing P,N-ligandsPeter E. Blöchl, Antonio TogniOrganometallics
PaperImproved tetrahedron method for Brillouin-zone integrationsPeter E. Blöchl, O. Jepsen, et al.Physical Review B
