Lehrstuhl für Theoretische Chemie

Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex (2021) Friedrich A, Pahl J, Eyselein J, Langer J, van Eikema Hommes N, Görling A, Harder S Journal article Nonclassical nucleation-role of metastable intermediate phase in crystal nucleation: An editorial prefix (2021) Zhang F, Gavira JA, Lee GW, Zahn D Journal article Protonation dynamics in the K-channel of cytochrome C oxidase estimated from molecular dynamics simulations (2021) Stegmaier V, Gorriz RF, Imhof P Journal article 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