Lehrstuhl für Theoretische Chemie

Exponentially Correlated Hylleraas–Configuration Interaction Studies of Atomic Systems. III. Upper and Lower Bounds to He-Sequence Oscillator Strengths for the Resonance 1S→1P Transition (2023) Sims JS, Padhy B, Ruiz MB Journal article Dictating Packing and Interactions of Perylene Bisimides within Cyclophane Structures in the Solid State (2023) Solymosi I, Neiß C, Maid H, Hampel F, Solymosi T, Görling A, Hirsch A, Perez-Ojeda ME Journal article Structure and Reactivity of the Ionic Liquid [C(1)C(1)Im][Tf2N] on Cu(111) (2023) Adhikari R, Massicot S, Fromm L, Talwar T, Gezmis E, Meusel M, Bayer A, et al. Journal article Mechanistic Insight into Solution-Based Atomic Layer Deposition of CuSCN Provided by In Situ and Ex Situ Methods (2023) Hilpert F, Liao PC, Franz E, Koch V, Fromm L, Topraksal E, Görling A, et al. Journal article Isolated Rh atoms in dehydrogenation catalysis (2023) Wittkämper H, Hock R, Weißer M, Dallmann J, Vogel C, Raman N, Tacardi N, et al. Journal article Comparison of Empirical Zn2+ Models in Protein–DNA Complexes (2023) Volkenandt S, Imhof P Journal article Investigation of the Impact of High Concentration LiTFSI Electrolytes on Silicon Anodes with Reactive Force Field Simulations (2023) Cavers H, Steffen J, Gogoi N, Adelung R, Hartke B, Hansen S Journal article Geometries and vibrational frequencies with Kohn-Sham methods using σ -functionals for the correlation energy (2023) Neiß C, Fauser S, Görling A Journal article New Insights into Ring-In-Ring Complexes of [n]Cycloparaphenylenes including the [12]Carbon Nanobelt (2023) Freiberger M, Frühwald S, Minameyer M, Görling A, Drewello T Journal article Efficient Assessment of ‘Instantaneous pK’ Values from Molecular Dynamics Simulations (2023) Duchstein P, Löffler F, Zahn D Journal article