Department Chemie und Pharmazie

Interaction Models and Molecular Simulation Systems of Steel–Organic Friction Modifier Interfaces (2021) Pominov A, Müller-Hillebrand J, Träg J, Zahn D Journal article Integrating state of the art compute, communication, and autotuning strategies to multiply the performance of ab initio molecular dynamics on massively parallel multi-core supercomputers (2021) Klöffel T, Mathias G, Meyer B Journal article Evaluation of Packaging Materials in Freeze-Drying: Use of Polymer Caps and Nested Vials and Their Impact on Process and Product Attributes (2021) Wenzel T, Gieseler H Journal article Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex (2021) Friedrich A, Pahl J, Eyselein J, Langer J, van Eikema Hommes N, Görling A, Harder S Journal article Mechanism of fast domain wall motion via current-assisted Bloch-point domain wall stabilization (2021) De Riz A, Hurst J, Schoebitz M, Thirion C, Bachmann J, Toussaint JC, Fruchart O, Gusakova D Journal article Non-Covalent Postfunctionalization of Dye Layers on TiO2 - A Tool for Enhancing Injection in Dye-Sensitized Solar Cells (2021) Luchs T, Zieleniewska A, Kunzmann A, Schol P, Guldi DM, Hirsch A Journal article Binding and Sensing Properties of a Hybrid Naphthalimide-Pyrene Aza-Cyclophane towards Nucleotides in an Aqueous Solution (2021) Agafontsev AM, Oshchepkov AS, Shumilova TA, Kataev E Journal article The Cascade Reactions of Indigo with Propargyl Substrates for Heterocyclic and Photophysical Diversity (2021) Mccosker PM, Butler NM, Shakoori A, Volland M, Perry MJ, Mullen JW, Willis AC, et al. Journal article Stability of the Pd/Co3O4(111) Model Catalysts in Oxidizing and Humid Environments (2021) Schuschke C, Fusek L, Uvarov V, Vorokhta M, Smid B, Johanek V, Lykhach Y, et al. Journal article Comparison of Magnesium and Zinc in Cationic π-Arene and Halobenzene Complexes (2021) Friedrich A, Eyselein J, Langer J, Harder S Journal article