Publications of O. Hochrein

Somer, M.; Schnering, H. G. V.; Hochrein, O.; Zahn, D.: A profound analysis of Rb₂[PH] and Cs₂[PH] and the role of [PH]^2- ions during temperature-induced solid-solid phase transitions. Solid State Communications 188, pp. 32 - 35 (2014)

Thomas, A.; Rosseeva, E.; Hochrein, O.; Carrillo-Cabrera, W.; Simon, P.; Duchstein, P.; Zahn, D.; Kniep, R.: Mimicking the Growth of a Pathologic Biomineral: Shape Development and Structures of Calcium Oxalate Dihydrate in the Presence of Polyacrylic Acid. Chemistry - A European Journal 18 (13), pp. 4000 - 4009 (2012)

Duchstein, P.; Hochrein, O.; Zahn, D.: Motif Identification in Materials Simulations. Zeitschrift für Anorganische und Allgemeine Chemie 635, pp. 649 - 652 (2009)

Hochrein, O.; Zahn, D.: Atomic mechanisms of superionic conductivity in fluorite. Solid State Ionics 180, pp. 116 - 119 (2009)

Zahn, D.; Hochrein, O.; Guo, X.; Maier, J.: Molecular Dynamics Modeling of Nanoscale CaF₂/BaF₂ Heterolayer Structures. Journal of Physical Chemistry C 113, pp. 1315 - 1319 (2009)

Duchstein, P.; Hochrein, O.; Zahn, D.: Automated Motif Indentification in Solids. Zeitschrift für Anorganische und Allgemeine Chemie 634 (11), p. 2035 - 2035 (2008)

Hochrein, O.; Thomas, A.; Kniep, R.: Revealing the Crystal Structure of Anhydrous Calcium Oxalate, Ca[C₂O₄], by a Combination of Atomistic Simulation and Rietveld Refinement. Zeitschrift für Anorganische und Allgemeine Chemie 634, pp. 1826 - 1829 (2008)

Kawska, A.; Duchstein, P.; Hochrein, O.; Zahn, D.: Atomistic Mechanisms of ZnO Aggregation from Ethanolic Solution: Ion Association, Proton Transfer, and Self Organization. Nano Letters 8 (8), pp. 2336 - 2340 (2008)

Kawska, A.; Duchstein, P.; Hochrein, O.; Zahn, D.: From Ion Aggregation to Nanocrystal (Self-)Organization: a Transferable Simulation Platform. Zeitschrift für Anorganische und Allgemeine Chemie 634 (11), p. 2017 - 2017 (2008)

Kawska, A.; Hochrein, O.; Brickmann, J.; Kniep, R.; Zahn, D.: The Nucleation Mechanism of Fluorapatite-Collagen Composites: Ion Association and Motif Control by Collagen Proteins. Angewandte Chemie 120, pp. 5060 - 5063 (2008)

Kawska, A.; Hochrein, O.; Brickmann, J.; Kniep, R.; Zahn, D.: The Nucleation Mechanism of Fluorapatite-Collagen Composites: Ion Association an Motif Control by Collagen Proteins. Angewandte Chemie - International Edition 47, pp. 4982 - 4985 (2008)

Zahn, D.; Hochrein, O.: On the composition and atomic arrangement of calcium-deficient hydroxyapatite: An ab-initio analysis. Journal of Solid State Chemistry 181, pp. 1712 - 1716 (2008)

Huang, Y.-X.; Hochrein, O.; Zahn, D.; Prots, Y.; Borrmann, H.; Kniep, R.: Control of Channel Shapes in a Microporous Manganese(II)-Borophosphate Framework by Variation of Size and Shape of Organic Template Cations. Chemistry - A European Journal 13, pp. 1737 - 1745 (2007)

Schepers, T.; Brickmann, J.; Hochrein, O.; Zahn, D.: Atomistic Simulation Study of Calcium, Phosphate and Fluoride Ion Association to the Teleopeptide-Tails of Collagen - Initial Steps to Biomineral Formation. Zeitschrift für Anorganische und Allgemeine Chemie 633 (3), pp. 411 - 414 (2007)

Zahn, D.; Hochrein, O.; Kawska, A.; Brickmann, J.; Kniep, R.: Towards an atomistic understanding of apatite-collagen biomaterials: linking molecular simulation studies of complex-, crystal- and composite-formation to experimental findings. Journal of Materials Science 42, pp. 8966 - 8973 (2007)

Zahn, D.; Hochrein, O.; Kawska, A.; Seifert, G.; Grin, Y.; Kniep, R.; Leoni, S.: Extending the scope of 'in silico experiments': Theoretical approaches for the investigation of reaction mechanisms, nucleation events and phase transitions. Science and Technology of Advanced Materials 8, pp. 434 - 441 (2007)

Boulfelfel, S. E.; Zahn, D.; Hochrein, O.; Grin, Y.; Leoni, S.: Low-dimensional sublattice melting by pressure: Superionic conduction in the phase interfaces of the fluorite-to-cotunnite transition of CaF₂. Physical Review B 74 (9), 094106, pp. 094106-1 - 094106-7 (2006)

Boulfelfel, S. E.; Zahn, D.; Hochrein, O.; Grin, Y.; Leoni, S.: Nucleation and growth in the fluorite to PbCl2-type pressure-induced phase transition in CaF2. Abstracts of Papers of the American Chemical Society 231, COMP 295 (2006)

Kawska, A.; Brickmann, J.; Kniep, R.; Hochrein, O.; Zahn, D.: An atomistic simulation scheme for modeling crystal formation from solution. The Journal of Chemical Physics 124 (2), 024513, pp. 024513-1 - 024513-7 (2006)

Thomas, A.; Kniep, R.; Hochrein, O.: Control of the Crystal Growth of Calcium Oxalates. Zeitschrift für Anorganische und Allgemeine Chemie 632 (12-13), p. 2109 - 2109 (2006)