PaperStructure and Dynamics of Methanol in a ZeoliteErnst Nusterer, Peter E. Blöchl, et al.Angewandte Chemie (International Edition in English)
PaperFirst-principles molecular dynamics study of small molecules in zeolitesKarlheinz Schwarz, Ernst Nusterer, et al.Catalysis Today
PaperFinite-temperature characterization of ferrocene from first-principles molecular dynamics simulationsPeter Margl, Karlheinz Schwarz, et al.The Journal of Chemical Physics