Structure and Conformation of Individual Molecules upon Adsorption of a Mixture of Benzoporphyrins on Ag(111), Cu(111), and Cu(110) Surfaces (2023) Adhikari R, Brox J, Massicot S, Ruppel M, Jux N, Marbach H, Steinrück HP Journal article Predicting a New Δ-Proton Sponge-Base of 4,12-Dihydrogen-4,8,12-triazatriangulene through Proton Affinity, Aromatic Stabilization Energy, and Aromatic Magnetism (2023) Al-Yassiri MA, Puchta R Journal article Surface Chemistry of the Molecular Solar Thermal Energy Storage System 2,3-Dicyano-Norbornadiene/Quadricyclane on Ni(111) (2022) Hemauer F, Bauer U, Fromm L, Weiß C, Leng A, Bachmann P, Düll F, et al. Journal article On the Role of Amides and Imides for Understanding GaN Syntheses from Ammonia Solution: Molecular Mechanics Models of Ammonia, Amide and Imide Interactions with Gallium Nitride (2022) Wonglakhon T, Zahn D Journal article Electronic Structure and Magnetic Properties of a High-Spin MnIII Complex: [Mn(mesacac)3] (mesacac=1,3-Bis(2,4,6-trimethylphenyl)-propane-1,3-dionato) (2022) Strassner NM, Stipurin S, Koželj P, Grin Y, Strassner T Journal article Hybrid Functional and Plane Waves based Ab Initio Molecular Dynamics Study of the Aqueous Fe2+/Fe3+ Redox Reaction** (2022) Mandal S, Kar R, Meyer B, Nair NN Journal article Formation and Surface Behavior of Pt and Pd Complexes with Ligand Systems Derived from Nitrile-functionalized Ionic Liquids Studied by XPS (2022) Hemmeter D, Paap U, Taccardi N, Mehler J, Schulz P, Wasserscheid P, Maier F, Steinrück HP Journal article Photoinduced Intervalence Charge Transfers: Spectroscopic Tools to Study Fundamental Phenomena and Applications (2022) Ramirez-Wierzbicki I, Cotic A, Cadranel A Journal article Investigation of CO2 Orientational Dynamics through Simulated NMR Line Shapes** (2021) Melix P, Heine T Journal article Determining the Diffusion Coefficient of Lithium Insertion Cathodes from GITT measurements: Theoretical Analysis for low Temperatures** (2021) Schied T, Nickol A, Heubner C, Schneider M, Michaelis A, Bobeth M, Cuniberti G Journal article