Computer-Chemie-Centrum (CCC)

Directional Charge-Carrier Transport in Oriented Benzodithiophene Covalent Organic Framework Thin Films (2017) Medina DD, Petrus ML, Jumabekov AN, Margraf J, Weinberger S, Rotter JM, Clark T, Bein T Journal article Stability of Odd- Versus Even-Electron Gas-Phase (Quasi)Molecular Ions Derived from Pyridine-Substituted N-Heterotriangulenes (2017) Hitzenberger J, Dral PO, Meinhardt U, Clark T, Thiel W, Kivala M, Drewello T Journal article Conformation and Dynamics of Human Urotensin II and Urotensin Related Peptide in Aqueous Solution (2017) Haensele E, Mele N, Miljak M, Read CM, Whitley DC, Banting L, Delepee C, et al. Journal article Accurate Intermolecular Potential for the C-60 Dimer: The Performance of Different Levels of Quantum Theory (2017) Sharapa D, Margraf JT, Heßelmann A, Clark T Journal article Redox behavior and biological properties of ferrocene bearing porphyrins (2017) Lippert R, Shubina T, Vojnovic S, Pavic A, Veselinovic J, Nikodinovic-Runic J, Stankovic N, Ivanovic-Burmazovic I Journal article, Original article Molecular Dynamics Simulation of Phosphonic Acid–Aluminum Oxide self-organization and their evolution into ordered monolayers (2017) Dietrich H, Schmaltz T, Halik M, Zahn D Journal article, Report Effect of Structure and Disorder on the Charge Transport in Defined Self-Assembled Monolayers of Organic Semiconductors (2017) Schmaltz T, Gothe B, Krause A, Leitherer S, Steinrück HG, Thoss M, Clark T, Halik M Journal article Synthesis, Structural Characterization, and Crystal Packing of the Elusive Pentachlorinated Azafullerene C59NCl5 (2017) Amsharov K, Holzwarth J, Roshchyna K, Sharapa D, Hampel F, Hirsch A Journal article, Original article Synchronized Offset Stacking: A Concept for Growing Large-Domain and Highly Crystalline 2D Covalent Organic Frameworks (2016) Auras F, Ascherl L, Haldmioun AH, Margraf J, Hanusch FC, Reuter S, Bessinger D, et al. Journal article Identification of Two Distinct Sites for Antagonist and Biased Agonist Binding to the Human Chemokine Receptor CXCR3 (2016) Milanos L, Saleh N, Kling R, Kaindl J, Tschammer N, Clark T Journal article