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Mimicking the Growth of a Pathologic Biomineral: Shape Development and Structures of Calcium Oxalate Dihydrate in the Presence of Polyacrylic Acid
Authors: Thomas, A.; Rosseeva, E.; Hochrein, O.; Carrillo-Cabrera, W.; Simon, P.; Duchstein, P.; Zahn, D.; Kniep, R.
Date of Publication (YYYY-MM-DD): 2012-02-22
Title of Journal: Chemistry - A European Journal
Volume: 18
Issue / Number: 13
Start Page: 4000
End Page: 4009
Document Type: Article
ID: 608972.0


Molecular Dynamics Modeling of Nanoscale CaF2/BaF2 Heterolayer Structures
Authors: Zahn, D.; Hochrein, O.; Guo, X.; Maier, J.
Date of Publication (YYYY-MM-DD): 2009
Title of Journal: Journal of Physical Chemistry C
Volume: 113
Start Page: 1315
End Page: 1319
Document Type: Article
ID: 404489.0


Motif Identification in Materials Simulations
Authors: Duchstein, P.; Hochrein, O.; Zahn, D.
Date of Publication (YYYY-MM-DD): 2009
Title of Journal: Zeitschrift für Anorganische und Allgemeine Chemie
Volume: 635
Start Page: 649
End Page: 652
Document Type: Article
ID: 430062.0


Atomic mechanisms of superionic conductivity in fluorite
Authors: Hochrein, O.; Zahn, D.
Date of Publication (YYYY-MM-DD): 2009
Title of Journal: Solid State Ionics
Volume: 180
Start Page: 116
End Page: 119
Document Type: Article
ID: 432101.0


Atomistic modelling of ion aggregation from solution and the self-organization of nanocrystals and nanocomposite biomaterials
Authors: Kawska, A.; Duchstein, P.; Hochrein, O.; Zahn, D.
Date of Publication (YYYY-MM-DD): 2009
Name of Conference/Meeting: 4th German Conference on Chemoinformatics
Title of Journal: Chemistry Central Journal
Volume (in Journal): 3
Start Page: P33
End Page: P33
Document Type: Conference-Paper
ID: 447267.0


The Nucleation Mechanism of Fluorapatite-Collagen Composites: Ion Association and Motif Control by Collagen Proteins
Authors: Kawska, A.; Hochrein, O.; Brickmann, J.; Kniep, R.; Zahn, D.
Date of Publication (YYYY-MM-DD): 2008
Title of Journal: Angewandte Chemie
Volume: 120
Start Page: 5060
End Page: 5063
Document Type: Article
ID: 367414.0


Atomistic Mechanisms of ZnO Aggregation from Ethanolic Solution: Ion Association, Proton Transfer, and Self Organization
Authors: Kawska, A.; Duchstein, P.; Hochrein, O.; Zahn, D.
Date of Publication (YYYY-MM-DD): 2008
Title of Journal: Nano Letters
Volume: 8
Issue / Number: 8
Start Page: 2336
End Page: 2340
Document Type: Article
ID: 374119.0


On the composition and atomic arrangement of calcium-deficient hydroxyapatite: An ab-initio analysis
Authors: Zahn, D.; Hochrein, O.
Date of Publication (YYYY-MM-DD): 2008
Title of Journal: Journal of Solid State Chemistry
Volume: 181
Start Page: 1712
End Page: 1716
Document Type: Article
ID: 374121.0


Revealing the Crystal Structure of Anhydrous Calcium Oxalate, Ca[C2O4], by a Combination of Atomistic Simulation and Rietveld Refinement
Authors: Hochrein, O.; Thomas, A.; Kniep, R.
Date of Publication (YYYY-MM-DD): 2008
Title of Journal: Zeitschrift für Anorganische und Allgemeine Chemie
Volume: 634
Start Page: 1826
End Page: 1829
Document Type: Article
ID: 377442.0


From Ion Aggregation to Nanocrystal (Self-)Organization: a Transferable Simulation Platform
Authors: Kawska, A.; Duchstein, P.; Hochrein, O.; Zahn, D.
Date of Publication (YYYY-MM-DD): 2008
Title of Journal: Zeitschrift für Anorganische und Allgemeine Chemie
Volume: 634
Issue / Number: 11
Start Page: 2017
End Page: 2017
Document Type: Article
ID: 377656.0