Lehrstuhl für Theoretische Chemie

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 Facile Access to Challenging ortho-Terphenyls via Merging Two Multi-Step Domino Reactions in One-Pot: A Joint Experimental/Theoretical Study (2019) Grau B, Bönisch S, Neuhauser A, Hampel F, Görling A, Tsogoeva S Journal article Hierarchies of methods towards the exact Kohn-Sham correlation energy based on the adiabatic-connection fluctuation-dissipation theorem (2019) Görling A Journal article Solar energy storage at an atomically defined organic-oxide hybrid interface (2019) Schuschke C, Hohner C, Jevric M, Petersen AU, Wang Z, Schwarz M, Kettner M, et al. Journal article The Feynman dispersion correction for MNDO extended to F, Cl, Br and I (2019) Kriebel M, Heßelmann A, Hennemann M, Clark T Journal article