Lehrstuhl für Theoretische Chemie

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 Dehydrogenation of the liquid organic hydrogen carrier system 2-methylindole/2-methylindoline/2-methyloctahydroindole on Pt(111) (2019) Bachmann P, Steinhauer J, Späth F, Düll F, Bauer U, Eschenbacher R, Hemauer F, et al. Journal article Intermolecular interaction energies from fourth order many-body perturbation theory. Impact of individual electron correlation contributions (2019) Heßelmann A Journal article Correction to: The Feynman dispersion correction for MNDO extended to F, Cl, Br and I (Journal of Molecular Modeling, (2019), 25, 6, (156), 10.1007/s00894-019-4038-z) (2019) Kriebel M, Heßelmann A, Hennemann M, Clark T Journal article, Erratum Electrochemically controlled energy storage in a norbornadiene-based solar fuel with 99% reversibility (2019) Waidhas F, Jevric M, Fromm L, Bertram M, Görling A, Moth-Poulsen K, Brummel O, Libuda J Journal article Defect-driven water migration in MgCl2 tetra- and hexahydrates (2019) Huinink HP, Sansotta S, Zahn D Journal article Assessment of the exact-exchange-only Kohn-Sham method for the calculation of band structures for transition metal oxide and metal halide perovskites (2019) Trushin E, Fromm L, Görling A Journal article