Lehrstuhl für Theoretische Chemie

Reversible structural rearrangement of pi-expanded cyclooctatetraene upon two-fold reduction with alkali metals (2022) Zhou Z, Zhu Y, Wei Z, Bergner J, Neiß C, Doloczki S, Görling A, et al. Journal article Oxidation Enhances Binding of Extrahelical 5-Methyl-Cytosines by Thymine DNA Glycosylase (2022) Beierlein F, Volkenandt S, Imhof P Journal article Half-Projected Hartree-Fock method: History and application to excited states of the same symmetry as the ground state (2022) Ruiz MB Journal article, Review article Benzohydroxamic acid on rutile TiO2(110)-(1×1)– a comparison of ultrahigh-vacuum evaporation with deposition from solution (2022) Köbl J, Fernández CC, Augustin LM, Kataev E, Franchi S, Tsud N, Pistonesi C, et al. Journal article Synthesis and C 60Binding of Aza[10]CPP and N -Methylaza[10]CPP (2022) Schwer F, Zank S, Freiberger M, Kaur R, Frühwald S, Robertson CC, Görling A, et al. Journal article 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