Lehrstuhl für Theoretische Chemie

Molecular Simulation of Thermosetting Polymer Hardening: Reactive Events Enabled by Controlled Topology Transfer (2020) Meißner RH, Konrad J, Boll B, Fiedler B, Zahn D Journal article Exponentially correlated Hylleraas-configuration interaction nonrelativistic energy of the 1S ground state of the helium atom (2020) Sims JS, Padhy B, Ruiz MB Journal article Noncovalent Functionalization and Passivation of Black Phosphorus with Optimized Perylene Diimides for Hybrid Field Effect Transistors (2020) Lloret V, Nuin E, Kohring M, Wild S, Löffler M, Neiß C, Krieger M, et al. Journal article Gas-Phase Transformation of Fluorinated Benzoporphyrins to Porphyrin-Embedded Conical Nanocarbons (2020) Lungerich D, Hitzenberger J, Ruppel M, Döpper T, Witt M, Ivanovic-Burmazovic I, Görling A, et al. Journal article Investigation of Cycloparaphenylenes (CPPs) and their Noncovalent Ring-in-Ring and Fullerene-in-Ring Complexes by (Matrix-Assisted) Laser Desorption/Ionization and Density Functional Theory (2020) Minameyer M, Xu Y, Frühwald S, Görling A, von Delius M, Drewello T Journal article Approaching Dissolved Species in Ammonoacidic GaN Crystal Growth: A Combined Solution NMR and Computational Study (2020) Becker P, Wonglakhon T, Zahn D, Gudat D, Niewa R Journal article On the Role of Silica Carrier Curvature for the Unloading of Small Drug Molecules: A Molecular Dynamics Simulation Study (2020) Macht M, Becit B, Zahn D Journal article On-Surface Assembly of Hydrogen- and Halogen-Bonded Supramolecular Graphyne-Like Networks (2020) Yang Z, Fromm L, Sander T, Gebhardt J, Schaub TA, Görling A, Kivala M, Maier S Journal article Fractal-seaweeds type functionalization of graphene (2020) Amsharov K, Sharapa DI, Vasilyev OA, Martin O, Hauke F, Görling A, Soni H, Hirsch A Journal article Robust and accurate hybrid random-phase-approximation methods (2019) Thierbach A, Schmidtel D, Görling A Journal article