Professur für Theoretische Chemie

Molecular Simulations and Network Analyses of Surface/Interface Effects in Epoxy Resins: How Bonding Adapts to Boundary Conditions (2022) Konrad J, Moretti P, Zahn D Journal article Multi-Scale Modelling of Plastic Deformation, Damage and Relaxation in Epoxy Resins (2022) Konrad J, Pfaller S, Zahn D Journal article Small-Molecular-Weight Additives Modulate Calcification by Interacting with Prenucleation Clusters on the Molecular Level (2022) Duchstein P, Schodder P, Leupold S, Dao TQN, Kababya S, Cicconi MR, de Ligny D, et al. Journal article On the Role of Amides and Imides for Understanding GaN Syntheses from Ammonia Solution: Molecular Mechanics Models of Ammonia, Amide and Imide Interactions with Gallium Nitride (2022) Wonglakhon T, Zahn D Journal article Molecular Dynamics Simulations of Nitrate/MgO Interfaces andUnderstanding Metastability of Thermochemical Materials br (2022) Shkatulov A, Becit B, Zahn D Journal article Molecular dynamics simulation study of NH4+ and NH2− in liquid ammonia: interaction potentials, structural and dynamical properties (2022) Wonglakhon T, Zahn D Journal article 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