Lehrstuhl für Theoretische Chemie

Tackling time-reversibility in transition path sampling molecular dynamics simulations (2012) Zahn D Journal article Thermoanalytical Evidence of Metastable Molecular Defects in Form I of Benzamide (2012) Butterhof C, Martin T, Ectors P, Zahn D, Niemietz P, Senker J, Nather C, Breu J Journal article Mimicking the Growth of a Pathologic Biomineral: Shape Development and Structures of Calcium Oxalate Dihydrate in the Presence of Polyacrylic Acid (2012) Thomas A, Rosseeva E, Hochrein O, Carrillo-Cabrera W, Simon P, Duchstein P, Zahn D, Kniep R Journal article Mit Simulationen Nanokristallen und -kompositen auf der Spur (2012) Milek T, Duchstein P, Zahn D Journal article Coronates, spherical containers, bowl-shaped surfaces, porous 1D-, 2D-, 3D-metallo-coordination polymers, and metallodendrimers (2012) Scheurer A, Saalfrank P Authored book, Volume of book series Growth and electronic structure of nitrogen-doped graphene on Ni(111) (2012) Koch R, Weser M, Zhao W, Vines F, Gotterbarm K, Kozlov SM, Höfert O, et al. Journal article Molecular mechanics modeling of azobenzene-based photoswitches (2012) Duchstein P, Neiß C, Görling A, Zahn D Journal article, Original article Two-dimensional materials with Dirac cones: Graphynes containing heteroatoms (2012) Malko D, Neiß C, Görling A Journal article, Original article Preparation and characterization of ultrathin [Ru(CO) 3Cl 2] 2 and [BMIM][Tf 2N] films on Al 2O 3/NiAl(110) under UHV conditions (2012) Sobota M, Schernich S, Schulz H, Hieringer W, Paape N, Wasserscheid P, Görling A, et al. Journal article, Original article Precise response functions in all-electron methods: Application to the optimized-effective-potential approach (2012) Betzinger M, Friedrich C, Görling A, Bluegel S Journal article, Original article