Lehrstuhl für Theoretische Chemie

On the photophysics of nanographenes-investigation of functionalized hexa-: Peri -hexabenzocoronenes as model systems (2021) Haines P, Reger D, Träg J, Strauss V, Lungerich D, Zahn D, Jux N, Guldi DM Journal article Hydration breaking and chemical ordering in a levitated NaCl solution droplet beyond the metastable zone width limit: evidence for the early stage of two-step nucleation (2021) Hwang H, Cho YC, Lee S, Lee YH, Kim S, Kim Y, Jo W, et al. Journal article An embedded atom model for Ga-Pd systems: From intermetallic crystals to liquid alloys (2021) Wonglakhon T, Maisel S, Görling A, Zahn D Journal article Toward chemical accuracy at low computational cost: Density-functional theory with σ-functionals for the correlation energy (2021) Trushin E, Thierbach A, Görling A Journal article Magnetic water cleaning (2021) Halik M, Sarcletti M, Zahn D Journal article Chemical-recognition-driven selectivity of SnO2-nanowire-based gas sensors (2021) Park H, Kim JH, Vivod D, Kim S, Mirzaei A, Zahn D, Park C, et al. Journal article, Original article High-precision Hy-CI and E-Hy-CI studies of atomic and molecular properties (2021) Ruiz MB, Sims JS, Padhy B Book chapter / Article in edited volumes CO Permeability and Wetting Behavior of Ionic Liquids on Pt(111): An IRAS and PM-IRAS Study from Ultrahigh Vacuum to Ambient Pressure (2021) Blaumeiser D, Schuschke C, Fromm L, Taccardi N, Schötz S, Eschenbacher R, Bühlmeyer H, et al. Journal article A Molecular View of the Ionic Liquid Catalyst Interface of SCILLs: Coverage-Dependent Adsorption Motifs of [C4C1Pyr][NTf2] on Pd Single Crystals and Nanoparticles (2021) Schuschke C, Fromm L, Träg J, Stumm C, Hohner C, Eschenbacher R, Grau S, et al. Journal article Controlling and Fine-Tuning Charge-Transfer Emission in 2,6-Dicyanoaniline Multichromophores Prepared through Domino Reactions: Entry to a Potentially New Class of OLEDs (2021) Plass F, Bönisch S, Held F, Ullrich T, Fischer F, Guryev A, Görling A, et al. Journal article