Lehrstuhl für Theoretische Chemie

Size-Dependent Phase Stability of a Molecular Nanocrystal: a Proxy for Investigating the Early Stages of Crystallization (2011) Zahn D, Anwar J Journal article Uncovering Molecular Processes in Crystal Nucleation and Growth by Using Molecular Simulation (2011) Anwar J, Zahn D Journal article Third-order corrections to random-phase approximation correlation energies (2011) Heßelmann A Journal article Modeling martensic transformations in crystalline solids: validity and redesign of geometric approaches (2011) Zahn D Journal article On the accuracy of DFT-SAPT, MP2, SCS-MP2, MP2C, and DFT + Disp methods for the interaction energies of endohedral complexes of the C60 fullerene with a rare gas atom (2011) Heßelmann A, Korona T Journal article On the molecular mechanisms of the acid-induced dissociation of hydroxy-apatite in water (2011) Hochrein O, Zahn D Journal article The surface trans effect: Influence of axial ligands on the surface chemical bonds of adsorbed metalloporphyrins (2011) Hieringer W, Flechtner K, Kretschmann A, Seufert K, Auswärter W, Barth JV, Görling A, et al. Journal article Adsorption and reaction of SO2 on clean and oxygen precovered Pd(100) - A combined HR-XPS and DF study (2011) Luckas N, Gotterbarm K, Streber R, Lorenz MPA, Höfert O, Vines F, Papp C, et al. Journal article Random-phase approximation correlation methods for molecules and solids (2011) Heßelmann A, Görling A Journal article, Review article On the regioselectivity of the insertion step in nickel complex catalyzed dimerization of butene: A density-functional study (2011) Nikiforidis I, Görling A, Hieringer W Journal article, Original article