Professur für Theoretische Chemie

Nägelsbachstraße 25
91052 Erlangen

Related Project(s)

(Skalenübergreifende Bruchvorgänge: Integration von Mechanik, Materialwissenschaften, Mathematik, Chemie und Physik (FRASCAL)):
GRK2423 - P3: Fracture in Polymer Composites: Nano to Meso
Dr. Paolo Moretti; Prof. Dr. Dirk Zahn
(02/01/2019 - 30/06/2023)

(Fracture across Scales: Integrating Mechanics, Materials Science, Mathematics, Chemistry, and Physics (FRASCAL)):
GRK2423 - P8: Teilprojekt P8 - Fracture in Polymer Composites: Meso to Macro
PD Dr. Julia Mergheim; Prof. Dr. Dirk Zahn
(02/01/2019 - 30/06/2023)

Publications (Download BibTeX)

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Kühn, H., Wolf, K., Boehm, F., Glaudo, M., Gebhardt, L., Ectors, P.,... Kremer, A. (2019). Identification of novel MRGX2-agonists triggering mast cell degranulation and potentially mediating drug-induced pruritus. In JOURNAL DER DEUTSCHEN DERMATOLOGISCHEN GESELLSCHAFT (pp. 8-8). HOBOKEN: WILEY.
Ectors, P., & Zahn, D. (2019). Benchmarking and optimization of molecular simulation models of zinc dialkyldithiophosphate and calcium sulfonate oil additives. Journal of Molecular Modeling, 25(4).
Becit, B., Duchstein, P., & Zahn, D. (2019). Molecular mechanisms of mesoporous silica formation from colloid solution: Ripening-reactions arrest hollow network structures. PLoS ONE, 14(3).
Debus, C., Wu, B., Kollmann, T., Duchstein, P., Siglreitmeier, M., Herrera, S.,... Coelfen, H. (2019). Bioinspired multifunctional layered magnetic hybrid materials. Bioinspired, Biomimetic and Nanobiomaterials, 8(1), 28-46.
Sarcletti, M., Vivod, D., Luchs, T., Rejek, T., Portilla Berlanga, L., Müller, L.,... Halik, M. (2019). Superoleophilic Magnetic Iron Oxide Nanoparticles for Effective Hydrocarbon Removal from Water. Advanced Functional Materials.
Träg, J., & Zahn, D. (2019). Improved GAFF2 parameters for fluorinated alkanes and mixed hydro- and fluorocarbons. Journal of Molecular Modeling, 25(2).
Wittmann, J., Stiegler, L., Henkel, C., Träg, J., Götz, K., Unruh, T.,... Halik, M. (2019). Multifunctional and Tunable Surfaces Based on Pyrene Functionalized Nanoparticles. Advanced Materials Interfaces.
Schimmel, S., Duchstein, P., Steigerwald, T., Kimmel, A.-C., Schlücker, E., Zahn, D.,... Wellmann, P. (2018). In situ X-ray monitoring of transport and chemistry of Ga-containing intermediates under ammonothermal growth conditions of GaN. Journal of Crystal Growth, 498, 214-223.
Walther, M., & Zahn, D. (2018). From bismuth oxide/hydroxide precursor clusters towards stable oxides: Proton transfer reactions and structural reorganization govern the stability of [Bi18 O13 (OH)10]-nitrate clusters. Chemical Physics Letters, 691, 87-90.
Huinink, H.P., & Zahn, D. (2017). Elucidating water dynamics in MgCl2 hydrates from molecular dynamics simulation. Solid State Sciences, 69, 64-70.
Weber, M., Schlesinger, M., Walther, M., Zahn, D., Schalley, C.A., & Mehring, M. (2017). Investigations on the growth of bismuth oxido clusters and the nucleation to give metastable bismuth oxide modifications. Zeitschrift für Kristallographie, 232(1-3).
Sansotta, S., & Zahn, D. (2017). Solvation structure and dynamics of Ag+ in aqueous ammonia solutions: A molecular simulation study. Journal of Chemical Physics, 147(11).
Schiener, A., Schmidt, E., Bergmann, C., Seifert, S., Zahn, D., Krach, A.,... Magerl, A. (2017). The formation of CdS quantum dots and Au nanoparticles. Zeitschrift fur Kristallographie - Crystalline Materials, 232, 39-46.
Dietrich, H., Schmaltz, T., Halik, M., & Zahn, D. (2017). Molecular Dynamics Simulation of Phosphonic Acid–Aluminum Oxide self-organization and their evolution into ordered monolayers. Physical chemistry chemical physics : PCCP, 19, 5137-5144.
Dietrich, H., & Zahn, D. (2017). Molecular Mechanisms of Solvent-Controlled Assembly of Phosphonate Monolayers on Oxide Surfaces. Journal of Physical Chemistry C, 121(33), 18012-18020.
Zahn, D. (2017). Multi-scale simulations of apatite--collagen composites: from molecules to materials. Frontiers of Materials Science, 11(1), 1-12.
Martin, T., Niemietz, P., Greim, D., Ectors, P., Senker, J., Zahn, D., & Breu, J. (2017). Fundamental theoretical and practical investigations of the polymorph formation of small amphiphilic molecules, their co-crystals and salts. Zeitschrift für Kristallographie, 232(55-67).
Anwar, J., & Zahn, D. (2017). Polymorphic phase transitions: Macroscopic theory and molecular simulation. Advanced Drug Delivery Reviews, 117, 47-70.
Zobel, M., Windmueller, A., Schmidt, E., Götz, K., Milek, T., Zahn, D.,... Neder, R. (2016). The evolution of crystalline ordering for ligand-ornamented zinc oxide nanoparticles. Crystengcomm, 18(12), 2163-2172.
Milek, T., & Zahn, D. (2016). A Surfactants Walk to Work: Modes of Action of Citrate Controlling (10-10) and (000-1) Zinc Oxide Surface Growth from Solution. Zeitschrift für Anorganische und Allgemeine Chemie, 642(16), 902-905.

Last updated on 2019-24-04 at 10:27