Lehrstuhl für Theoretische Chemie

Tailoring mesoporous silica nanomaterials from molecular simulation: Modelling the interplay of condensation reactions, surfactants and space-fillers during self assembly (2021) Becit B, Zahn D Journal article Wet-chemically prepared porphyrin layers on rutile tio2(110) (2021) Wechsler D, Carolina Fernandez C, Köbl J, Augustin LM, Stumm C, Jux N, Steinrück HP, et al. Journal article Effect of the Hydration Shell on the Carbonyl Vibration in the Ala-Leu-Ala-Leu Peptide (2021) Hassan I, Ferraro F, Imhof P Journal article Tailored solution‐based N‐heterotriangulene thin films: Unravelling the self‐assembly (2021) Hawly T, Streller F, Johnson M, Miguez Lago S, Hammer N, Hampel F, Vivod D, et al. Journal article Controlling the Formation of Sodium/Black Phosphorus IntercalationCompounds Towards High Sodium Content (2021) Werbach K, Neiß C, Muellner A, Abellan G, Setman D, Lloret V, Wild S, et al. Journal article Tacrine-sugar mimetic conjugates as enhanced cholinesterase inhibitors (2021) Oliveira de Santana QL, Santos Evangelista TC, Imhof P, Ferreira SB, Fernández-Bolaños JG, Sydnes MO, Lopéz Ó, Lindbäck E Journal article Interaction Models and Molecular Simulation Systems of Steel–Organic Friction Modifier Interfaces (2021) Pominov A, Müller-Hillebrand J, Träg J, Zahn D Journal article 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