Lehrstuhl für Theoretische Chemie

Two Rings Around One Ball: Stability and Charge Localization of [1 : 1] and [2 : 1] Complex Ions of [10]CPP and C60/70[*] (2022) Freiberger M, Minameyer M, Solymosi I, Frühwald S, Krug M, Xu Y, Hirsch A, et al. Journal article Tetra(peri-naphthylene)anthracene: A Near-IR Fluorophore with Four-Stage Amphoteric Redox Properties (2022) Frisch S, Neiß C, Lindenthal S, Zorn NF, Rominger F, Görling A, Zaumseil J, Kivala M Journal article Electrocatalytic Energy Release of Norbornadiene-Based Molecular Solar Thermal Systems: Tuning the Electrochemical Stability by Molecular Design (2022) Franz E, Krappmann D, Fromm L, Luchs T, Görling A, Hirsch A, Brummel O, Libuda J Journal article Molecular Simulation Analyses of Polymorphism Control Factors by the Example of Carbamazepine Forms I-IV: A Blueprint for Industrial Drug Formulation? (2022) Gadelmeier A, Macht M, Zahn D Journal article Directed Dehydration as Synthetic Tool for Generation of a New Na4SnS4 Polymorph: Crystal Structure, Na+ Conductivity, and Influence of Sb-Substitution (2022) Hartmann F, Benkada A, Indris S, Poschmann M, Luehmann H, Duchstein P, Zahn D, Bensch W Journal article Planar π-extended cycloparaphenylenes featuring an all-armchair edge topology (2022) Xiang F, Maisel S, Beniwal S, Akhmetov V, Ruppenstein C, Devarajulu M, Dörr A, et al. Journal article Assessing the mechanical properties of molecular materials from atomic simulation (2021) Konrad J, Zahn D Journal article, Original article Deciphering the molecular mechanism of water boiling at heterogeneous interfaces (2021) Karalis K, Zahn D, Prasianakis NI, Niceno B, Churakov SV Journal article Adjusting the energy of interfacial states in organic photovoltaics for maximum efficiency (2021) Gasparini N, Camargo FV, Frühwald S, Nagahara T, Classen A, Roland S, Wadsworth A, et al. Journal article Adsorption Motifs and Molecular Orientation at the Ionic Liquid/Noble Metal Interface: [C(2)C(1)Im][NTf2] on Pt(111) (2021) Hohner C, Fromm L, Schuschke C, Taccardi N, Xu T, Wasserscheid P, Görling A, Libuda J Journal article