PaperFirst-principles calculations of self-diffusion constants in siliconPeter E. Blöchl, Enrico Smargiassi, et al.Physical Review Letters
PaperCombined static and dynamic density functional study of the Ti(IV) constrained geometry catalyst (CpSiH2NH)TiR+. 1. Resting states and chain propagationTom K. Woo, Peter M. Margl, et al.JACS
PaperElectric-field-gradient calculations using the projector augmented wave methodHelena M. Petrilli, Peter E. BlöchlPhysical Review B - CMMP
