Lehrstuhl für Theoretische Chemie

Analysis of the molecular interactions governing the polymorphism of benzamide -- a guide to syntheses? (2013) Ectors P, Zahn D Journal article A first-principles based force-field for Li+ and OH- in ethanolic solution (2013) Milek T, Meyer B, Zahn D Journal article Collective displacements in a molecular crystal polymorphic transformation (2013) Zahn D, Anwar J Journal article Surface-Assisted Organic Synthesis of Hyperbenzene Nanotroughs (2013) Fan Q, Wang C, Han Y, Zhu J, Hieringer W, Kuttner J, Hilt G, Gottfried JM Journal article Molecular Simulation of Fundamental Processes in Nanoparticle - Polymer - Nanoparticle Systems Under Tensile Load (2013) Zahn D Journal article On the Function of Saccharides during the Nucleation of Calcium Carbonate--Protein Biocomposites (2013) Duchstein P, Kniep R, Zahn D Journal article Nucleation mechanism and kinetics of the perovskite to post-perovskite transition of MgSiO3 under extreme conditions (2013) Zahn D Journal article Efficient self-consistent treatment of electron correlation within the random phase approximation (2013) Bleiziffer P, Heßelmann A, Görling A Journal article, Original article The role of vibrations in single-molecule charge transport: A case study of oligoynes with pyridine anchor groups (2013) Ballmann SD, Hieringer W, Härtle R, Brana Coto P, Bryce M, Görling A, Thoss M, Weber HB Journal article, Original article On the short-range behavior of correlated pair functions from the adiabatic-connection fluctuation-dissipation theorem of density-functional theory (2013) Heßelmann A, Görling A Journal article, Original article