Lehrstuhl für Theoretische Chemie

Secondary Alcohols as Rechargeable Electrofuels: Electrooxidation of Isopropyl Alcohol at Pt Electrodes (2020) Waidhas F, Haschke S, Khanipourmehrin P, Fromm L, Görling A, Bachmann J, Katsounaros I, et al. Journal article Phosphorus-Containing Dibenzonaphthanthrenes: Electronic Fine Tuning of Polycyclic Aromatic Hydrocarbons through Organophosphorus Chemistry (2020) Kivala M, Ascherl J, Neiß C, Vogel A, Graf J, Rominger F, Oeser T, et al. Journal article Restricted-Variance Molecular Geometry Optimization Based on Gradient-Enhanced Kriging (2020) Raggi G, Galván IF, Ritterhoff C, Vacher M, Lindh R Journal article Band positions of anatase (001) and (101) surfaces in contact with water from density functional theory (2020) Geiger J, Sprik M, May MM Journal article Interaction potentials for modelling GaN precipitation and solid state polymorphism (2020) Wonglakhon T, Zahn D Journal article Analytic energy gradients for the exact exchange Kohn-Sham method (2020) Thierbach A, Görling A Journal article Homo and Hetero Molecular 3D Nanographenes Employing a Cyclooctatetraene Scaffold (2020) Urieta-Mora J, Krug M, Alex W, Perles J, Fernández I, Molina-Ontoria A, Guldi DM, Martín N Journal article Norbornadiene photoswitches anchored to well-defined oxide surfaces: From ultrahigh vacuum into the liquid and the electrochemical environment (2020) Bertram M, Waidhas F, Jevric M, Fromm L, Schuschke C, Kastenmeier M, Görling A, et al. Journal article Polarization Effects in Dynamic Interfaces of Platinum Electrodes and Ionic Liquid Phases: A Molecular Dynamics Study (2020) Buraschi M, Sansotta S, Zahn D Journal article On-Surface Synthesis and Characterization of a Cycloarene: C108 Graphene Ring (2020) Fan Q, Martin-Jimenez D, Werner S, Ebeling D, Koehler T, Vollgraff T, Sundermeyer J, et al. Journal article