Professur für Theoretische Chemie

The nano- and meso-scale structure of amorphous calcium carbonate (2022) Clark SM, Colas B, Jacob DE, Neuefeind JC, Wang HW, Page KL, Soper AK, et al. Journal article Supraparticles for Bare-Eye H2 Indication and Monitoring: Design, Working Principle, and Molecular Mobility (2022) Reichstein J, Schötz S, Macht M, Maisel S, Stockinger N, Cuadrado Collados C, Schubert K, et al. Journal article, Online publication 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 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 A Molecular Simulation Approach to Bond Reorganization in Epoxy Resins: From Curing to Deformation and Fracture (2021) Konrad J, Meißner RH, Bitzek E, Zahn D Journal article, Original article 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 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 Interaction Models and Molecular Simulation Systems of Steel–Organic Friction Modifier Interfaces (2021) Pominov A, Müller-Hillebrand J, Träg J, Zahn D Journal article