Lehrstuhl für Theoretische Chemie

Growth and electronic structure of boron-doped graphene (2013) Gebhardt J, Koch R, Zhao W, Höfert O, Gotterbarm K, Mammadov S, Papp C, et al. Journal article The Dalton quantum chemistry program system (2013) Aidas K, Angeli C, Bak KL, Bakken V, Bast R, Boman L, Christiansen O, et al. Journal article, Original article Mechanisms of the water-gas shift reaction catalyzed by ruthenium pentacarbonyl: A density functional theory study (2013) Schulz H, Görling A, Hieringer W Journal article, Original article Dehydrogenation mechanism of liquid organic hydrogen carriers: Dodecahydro-N-ethylcarbazole on Pd(111) (2013) Amende M, Schernich S, Sobota M, Nikiforidis I, Hieringer W, Assenbaum D, Gleichweit C, et al. Journal article, Original article Improving the Charge Transport in Self-Assembled Monolayer Field-Effect Transistors: From Theory to Devices (2013) Jäger C, Schmaltz T, Novak M, Khassanov A, Vorobiev A, Hennemann M, Krause A, et al. Journal article, Original article 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