Dirk Zahn

Dirk Zahn

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Dirk Zahn

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Approaching Dissolved Species in Ammonoacidic GaN Crystal Growth: A Combined Solution NMR and Computational Study.

Chemistry 2020 Feb 3. Epub 2020 Feb 3.

Universität Stuttgart, Dept. of Chemistry, Pfaffenwaldring 55, 70569, Stuttgart, GERMANY.

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http://dx.doi.org/10.1002/chem.201904657DOI Listing
February 2020

Mixed Organic Ligand Shells: Controlling the Nanoparticle Surface Morphology toward Tuning the Optoelectronic Properties.

Small 2020 Jan 28;16(2):e1903729. Epub 2019 Nov 28.

Department Chemistry and Pharmacy, Interdisciplinary Center for Molecular Materials (ICMM), Friedrich-Alexander-University Erlangen-Nürnberg, Egerlandstraße 3, 91058, Erlangen, Germany.

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http://dx.doi.org/10.1002/smll.201903729DOI Listing
January 2020

Interaction potentials for modelling GaN precipitation and solid state polymorphism.

J Phys Condens Matter 2020 Jan 16;32(20):205401. Epub 2020 Jan 16.

Lehrstuhl für Theoretische Chemie/Computer Chemie Centrum, Friedrich-Alexander Universität Erlangen-Nürnberg, Nägelsbachstraße 25, 91052 Erlangen, Germany.

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http://dx.doi.org/10.1088/1361-648X/ab6cbeDOI Listing
January 2020

Molecular mechanisms of mesoporous silica formation from colloid solution: Ripening-reactions arrest hollow network structures.

PLoS One 2019 7;14(3):e0212731. Epub 2019 Mar 7.

Computer Chemie Centrum, Lehrstuhl für Theoretische Chemie, Friedrich-Alexander Universität Erlangen-Nürnberg, Erlangen, Germany.

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http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0212731PLOS
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6405164PMC
November 2019

Size-Dependent Local Ordering in Melanin Aggregates and Its Implication on Optical Properties.

J Phys Chem A 2019 Oct 18;123(43):9403-9412. Epub 2019 Oct 18.

Lehrstuhl für Theoretische Chemie/Computer Chemie Centrum Friedrich-Alexander Universität Erlangen-Nürnberg Nägelsbachstraße 25 , 91052 Erlangen , Germany.

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http://dx.doi.org/10.1021/acs.jpca.9b08722DOI Listing
October 2019

Benchmarking and optimization of molecular simulation models of zinc dialkyldithiophosphate and calcium sulfonate oil additives.

J Mol Model 2019 Mar 25;25(4):100. Epub 2019 Mar 25.

Lehrstuhl für Theoretische Chemie / Computer Chemie Centrum, Friedrich-Alexander Universität Erlangen-Nürnberg, Nägelsbachstraße 25, 91052, Erlangen, Germany.

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http://dx.doi.org/10.1007/s00894-019-3980-0DOI Listing
March 2019

Improved GAFF2 parameters for fluorinated alkanes and mixed hydro- and fluorocarbons.

J Mol Model 2019 Jan 18;25(2):39. Epub 2019 Jan 18.

Lehrstuhl für Theoretische Chemie / Computer Chemie Centrum, Friedrich-Alexander Universität Erlangen-Nürnberg, Nägelsbachstraße 25, 91052, Erlangen, Germany.

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http://dx.doi.org/10.1007/s00894-018-3911-5DOI Listing
January 2019

Solvation structure and dynamics of Ag in aqueous ammonia solutions: A molecular simulation study.

J Chem Phys 2017 Sep;147(11):114506

Lehrstuhl für Theoretische Chemie/Computer Chemie Centrum, Friedrich-Alexander Universität Erlangen-Nürnberg, Nägelsbachstraße 25, 91052 Erlangen, Germany.

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http://dx.doi.org/10.1063/1.5003654DOI Listing
September 2017

Polymorphic phase transitions: Macroscopic theory and molecular simulation.

Adv Drug Deliv Rev 2017 08 20;117:47-70. Epub 2017 Sep 20.

Lehrstuhl für Theoretische Chemie/Computer-Chemie-Centrum, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstr. 25, 91052 Erlangen, Germany. Electronic address:

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https://linkinghub.elsevier.com/retrieve/pii/S0169409X173019
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http://dx.doi.org/10.1016/j.addr.2017.09.017DOI Listing
August 2017

Multi-Scale Modelling of Deformation and Fracture in a Biomimetic Apatite-Protein Composite: Molecular-Scale Processes Lead to Resilience at the μm-Scale.

PLoS One 2016 14;11(6):e0157241. Epub 2016 Jun 14.

Lehrstuhl für Theoretische Chemie / Computer Chemie Centrum, Friedrich-Alexander Universität Erlangen-Nürnberg, Nägelsbachstraße 25, 91052 Erlangen, Germany.

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http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0157241PLOS
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4907469PMC
July 2017

The sense of balance in humans: Structural features of otoconia and their response to linear acceleration.

PLoS One 2017 13;12(4):e0175769. Epub 2017 Apr 13.

Department of Otorhinolaryngology, Head and Neck Surgery, University Medicine Mannheim, University of Heidelberg, Mannheim, Germany.

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http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0175769PLOS
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5391102PMC
April 2017

Elucidation of the Conversion Reaction of CoMnFeO4 Nanoparticles in Lithium Ion Battery Anode via Operando Studies.

ACS Appl Mater Interfaces 2016 Jun 8;8(24):15320-32. Epub 2016 Jun 8.

Institute of Inorganic Chemistry, University of Kiel , Max-Eyth-Straße 2, 24118 Kiel, Germany.

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http://pubs.acs.org/doi/10.1021/acsami.6b03185
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http://dx.doi.org/10.1021/acsami.6b03185DOI Listing
June 2016

Molecular Mechanisms of ZnO Nanoparticle Dispersion in Solution: Modeling of Surfactant Association, Electrostatic Shielding and Counter Ion Dynamics.

PLoS One 2015 11;10(5):e0125872. Epub 2015 May 11.

Lehrstuhl für Theoretische Chemie/Computer-Chemie-Centrum Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbach Str. 25, Erlangen, Germany.

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http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0125872PLOS
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4427181PMC
February 2016

Shearing in a biomimetic apatite-protein composite: molecular dynamics of slip zone formation, plastic flow and backcreep mechanisms.

PLoS One 2014 1;9(4):e93309. Epub 2014 Apr 1.

Department of Materials Science and Engineering, Friedrich-Alexander Universität Erlangen-Nürnberg, Erlangen, Germany.

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http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0093309PLOS
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3972202PMC
December 2015

Improving the Performance of Organic Thin-Film Transistors by Ion Doping of Ethylene-Glycol-Based Self-Assembled Monolayer Hybrid Dielectrics.

Adv Mater 2015 Dec 2;27(48):8023-7. Epub 2015 Nov 2.

Organic Materials & Devices (OMD), Institute of Polymer Materials, FAU Erlangen-Nürnberg, Martensstraße, 7, 91058, Erlangen, Germany.

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http://dx.doi.org/10.1002/adma.201503911DOI Listing
December 2015

Molecular modeling of amorphous, non-woven polymer networks.

J Mol Model 2015 Oct 17;21(10):263. Epub 2015 Sep 17.

Computer Chemie Centrum, Friedrich-Alexander Universität Erlangen-Nürnberg, Nägelsbachstraße 25, 91052, Erlangen, Germany.

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http://dx.doi.org/10.1007/s00894-015-2819-6DOI Listing
October 2015

Atomistic modeling of a KRT35/KRT85 keratin dimer: folding in aqueous solution and unfolding under tensile load.

Phys Chem Chem Phys 2015 Sep 3;17(34):21880-4. Epub 2015 Aug 3.

Lehrstuhl für Theoretische Chemie/Computer Chemie Centrum, Friedrich-Alexander Universität Erlangen-Nürnberg, Nägelsbachstraße 25, 91052 Erlangen, Germany.

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http://dx.doi.org/10.1039/c5cp02676hDOI Listing
September 2015

On the mechanism of Zn4O-acetate precursors ripening to ZnO: How dimerization is promoted by hydroxide incorporation.

J Chem Phys 2015 Aug;143(6):064501

Lehrstuhl für Theoretische Chemie/Computer-Chemie-Centrum Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbach Str. 25, D-91052 Erlangen, Germany.

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http://dx.doi.org/10.1063/1.4928190DOI Listing
August 2015

Thermodynamics and Kinetics of Prenucleation Clusters, Classical and Non-Classical Nucleation.

Authors:
Dirk Zahn

Chemphyschem 2015 Jul 27;16(10):2069-75. Epub 2015 Apr 27.

Lehrstuhl für Theoretische Chemie/Computer Chemie Centrum, Friedrich-Alexander Universität Erlangen-Nürnberg, Nägelsbachstraße 25, 91052 Erlangen (Germany).

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http://dx.doi.org/10.1002/cphc.201500231DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4529657PMC
July 2015

Self-Assembled Monolayers Get Their Final Finish via a Quasi-Langmuir-Blodgett Transfer.

Langmuir 2015 Apr 14;31(16):4678-85. Epub 2015 Apr 14.

†Institute of Particle Technology (LFG), ‡Erlangen Graduate School in Advanced Optical Technologies (SAOT), §Computer-Chemie-Centrum and Interdisciplinary Center for Molecular Materials, ∥Chair of Theoretical Chemistry, and ⊥Cluster of Excellence - Engineering of Advanced Materials (EAM), Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), 91058 Erlangen, Germany.

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http://dx.doi.org/10.1021/acs.langmuir.5b00440DOI Listing
April 2015

Multifunctional layered magnetic composites.

Beilstein J Nanotechnol 2015 12;6:134-48. Epub 2015 Jan 12.

Department of Chemistry, Physical Chemistry, University of Konstanz, Universitätsstraße 10, 78457 Konstanz, Germany.

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http://dx.doi.org/10.3762/bjnano.6.13DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4311584PMC
February 2015

Fullerene van der Waals oligomers as electron traps.

J Am Chem Soc 2014 Aug 24;136(31):10890-3. Epub 2014 Jul 24.

Computer-Chemie-Centrum and Interdisciplinary Center for Molecular Materials, Department Chemie und Pharmazie, Friedrich-Alexander-Universität Erlangen-Nürnberg , 91052 Erlangen, Germany.

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http://dx.doi.org/10.1021/ja505949mDOI Listing
August 2014

Molecular simulation of AG nanoparticle nucleation from solution: redox-reactions direct the evolution of shape and structure.

Nano Lett 2014 Aug 4;14(8):4913-7. Epub 2014 Aug 4.

Computer Chemie Centrum/Lehrstuhl für Theoretische Chemie Friedrich-Alexander Universität Erlangen-Nürnberg Nägelsbachstraße 25, 91052 Erlangen, Germany.

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http://dx.doi.org/10.1021/nl502503tDOI Listing
August 2014

Indentation and self-healing mechanisms of a self-assembled monolayer--a combined experimental and modeling study.

J Am Chem Soc 2014 Jul 23;136(30):10718-27. Epub 2014 Jul 23.

Institute of Particle Technology (LFG), Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU) , Cauerstrasse 4, 91058 Erlangen, Germany.

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http://dx.doi.org/10.1021/ja5048076DOI Listing
July 2014

Synthesis and Characterization of Gelatin-Based Magnetic Hydrogels.

Adv Funct Mater 2014 Jun 12;24(21):3187-3196. Epub 2014 Feb 12.

Physical Chemistry, University of Konstanz Universitätsstrasse 10, D-78457, Konstanz, Germany.

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http://dx.doi.org/10.1002/adfm.201303547DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4379906PMC
June 2014

Charge distribution analysis in Ag(n)(m⁺) clusters: molecular modeling and DFT calculations.

J Mol Model 2014 Mar 22;20(3):2111. Epub 2014 Feb 22.

Computer Chemie Centrum, Friedrich-Alexander Universität Erlangen-Nürnberg, Nägelsbachstraße 25, 91052, Erlangen, Germany.

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http://link.springer.com/10.1007/s00894-014-2111-1
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http://dx.doi.org/10.1007/s00894-014-2111-1DOI Listing
March 2014

A first-principles based force-field for Li+ and OH- in ethanolic solution.

J Chem Phys 2013 Oct;139(14):144506

Computer-Chemistry-Center/Chair of Theoretical Chemistry, Friedrich-Alexander Universität Erlangen-Nürnberg, Nägelsbachstr. 25, D-91052 Erlangen, Germany.

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https://opus4.kobv.de/opus4-fau/files/4501/Milek_First-princ
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http://scitation.aip.org/content/aip/journal/jcp/139/14/10.1
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http://dx.doi.org/10.1063/1.4824300DOI Listing
October 2013

Analysis of the molecular interactions governing the polymorphism of benzamide--a guide to syntheses?

Phys Chem Chem Phys 2013 Jun 8;15(23):9219-22. Epub 2013 May 8.

Lehrstuhl für Theoretische Chemie/Computer-Chemie-Centrum Friedrich-Alexander-Universität Erlangen-Nürnberg, Erlangen, Germany.

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http://dx.doi.org/10.1039/c3cp44279aDOI Listing
June 2013

Improving the charge transport in self-assembled monolayer field-effect transistors: from theory to devices.

J Am Chem Soc 2013 Mar 18;135(12):4893-900. Epub 2013 Mar 18.

Computer-Chemie-Centrum and Interdisciplinary Center for Molecular Materials, University Erlangen-Nürnberg, Nägelsbachstrasse 25, 91052 Erlangen, Germany.

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http://dx.doi.org/10.1021/ja401320nDOI Listing
March 2013

A test of improved force field parameters for urea: molecular-dynamics simulations of urea crystals.

J Mol Model 2012 Aug 27;18(8):3455-66. Epub 2012 Jan 27.

Department of Chemistry, Natural Sciences, Architecture and Engineering Faculty, Bursa Technical University, Osmangazi, 16000, Bursa, Turkey.

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http://link.springer.com/10.1007/s00894-011-1336-5
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http://dx.doi.org/10.1007/s00894-011-1336-5DOI Listing
August 2012

Molecular mechanics modeling of azobenzene-based photoswitches.

J Mol Model 2012 Jun 28;18(6):2479-82. Epub 2011 Oct 28.

Computer Chemie Centrum, Friedrich-Alexander Universität Erlangen-Nürnberg, Erlangen, Germany.

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http://dx.doi.org/10.1007/s00894-011-1270-6DOI Listing
June 2012

From composites to solid solutions: modeling of ionic conductivity in the CaF2-BaF2 system.

Chemistry 2012 May 4;18(20):6225-9. Epub 2012 Apr 4.

Lehrstuhl für Theoretische Chemie/Computer Chemie Centrum, Friedrich-Alexander Universität Erlangen-Nürnberg, Nägelsbachstraße 25, 91052 Erlangen, Germany.

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http://dx.doi.org/10.1002/chem.201102410DOI Listing
May 2012

Mimicking the growth of a pathologic biomineral: shape development and structures of calcium oxalate dihydrate in the presence of polyacrylic acid.

Chemistry 2012 Mar 22;18(13):4000-9. Epub 2012 Feb 22.

Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Straße 40, D-01187 Dresden, Germany.

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http://doi.wiley.com/10.1002/chem.201102228
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http://dx.doi.org/10.1002/chem.201102228DOI Listing
March 2012

On the mechanisms of ionic conductivity in BaLiF3: a molecular dynamics study.

Phys Chem Chem Phys 2011 Dec 3;13(48):21492-5. Epub 2011 Nov 3.

Lehrstuhl für Theoretische Chemie/Computer Chemie Centrum, Friedrich-Alexander Universität Erlangen-Nürnberg, Nägelsbachstraße 25, 91052 Erlangen, Germany.

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http://dx.doi.org/10.1039/c1cp22495fDOI Listing
December 2011

Size-dependent phase stability of a molecular nanocrystal: a proxy for investigating the early stages of crystallization.

Chemistry 2011 Sep 25;17(40):11186-92. Epub 2011 Aug 25.

Lehrstuhl für Theoretische Chemie, Computer-Chemie-Centrum, Universität Erlangen-Nürnberg, Nägelsbachstr. 25 Address 2, 91052 Erlangen, Germany.

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http://dx.doi.org/10.1002/chem.201100710DOI Listing
September 2011

Molecular dynamics simulation of ionic conductors: perspectives and limitations.

Authors:
Dirk Zahn

J Mol Model 2011 Jul 31;17(7):1531-5. Epub 2010 Oct 31.

Lehrstuhl für Theoretische Chemie/Computer Chemie Centrum, Universität Erlangen-Nürnberg, Nägelsbachstr. 25, 91052 Erlangen, Germany.

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http://dx.doi.org/10.1007/s00894-010-0877-3DOI Listing
July 2011

On the molecular mechanisms of the acid-induced dissociation of hydroxy-apatite in water.

J Mol Model 2011 Jun 1;17(6):1525-8. Epub 2010 Oct 1.

Lehrstuhl für Theoretische Chemie/Computer Chemie Centrum, Friedrich-Alexander Universität Erlangen-Nürnberg, Erlangen, Germany.

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http://dx.doi.org/10.1007/s00894-010-0855-9DOI Listing
June 2011

Hydrolysis of a basic bismuth nitrate--formation and stability of novel bismuth oxido clusters.

Chemistry 2011 Jun 9;17(25):6985-90. Epub 2011 May 9.

Technische Universität Chemnitz, Strasse der Nationen 62, 09111 Chemnitz, Germany.

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http://dx.doi.org/10.1002/chem.201100673DOI Listing
June 2011

Uncovering molecular processes in crystal nucleation and growth by using molecular simulation.

Angew Chem Int Ed Engl 2011 Feb 26;50(9):1996-2013. Epub 2011 Jan 26.

Computational Biophysics Laboratory, Institute of Pharmaceutical Innovation, University of Bradford, Bradford, BD7 1DP, UK.

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http://doi.wiley.com/10.1002/anie.201000463
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http://dx.doi.org/10.1002/anie.201000463DOI Listing
February 2011

Atomistic modeling of apatite-collagen composites from molecular dynamics simulations extended to hyperspace.

J Mol Model 2011 Jan 6;17(1):73-9. Epub 2010 Apr 6.

Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Str. 40, 01087 Dresden, Germany.

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http://dx.doi.org/10.1007/s00894-010-0707-7DOI Listing
January 2011

Atomistic in situ investigation of the morphogenesis of grains during pressure-induced phase transitions: molecular dynamics simulations of the B1-B2 transformation of RbCl.

Chemistry 2010 Dec;16(45):13385-9

Lehrstuhl für Theoretische Chemie/Computer Chemie Centrum, Friedrich-Alexander Universität Erlangen-Nürnberg, Nägelsbachstrasse 25, 91052 Erlangen, Germany.

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http://doi.wiley.com/10.1002/chem.201001481
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http://dx.doi.org/10.1002/chem.201001481DOI Listing
December 2010

A molecular rationale of shock absorption and self-healing in a biomimetic apatite-collagen composite under mechanical load.

Authors:
Dirk Zahn

Angew Chem Int Ed Engl 2010 Dec;49(49):9405-7

Lehrstuhl für Theoretische Chemie/Computer Chemie Centrum, Friedrich-Alexander Universität Erlangen-Nürnberg, Nägelsbachstraße 25, 91052 Erlangen, Germany.

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http://doi.wiley.com/10.1002/anie.201002663
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http://dx.doi.org/10.1002/anie.201002663DOI Listing
December 2010

Fluorapatite-gelatine nanocomposite superstructures: new insights into a biomimetic system of high complexity.

Chemphyschem 2010 Jun;11(9):1851-3

Physikalische Chemie I, Technische Universität Darmstadt, Petersenstrasse 20, 64287 Darmstadt, Germany.

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http://dx.doi.org/10.1002/cphc.201000232DOI Listing
June 2010

Motif reconstruction in clusters and layers: benchmarks for the Kawska-Zahn approach to model crystal formation.

Chemphyschem 2010 Mar;11(4):847-52

Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzerstr. 40, D-01087 Dresden, Germany.

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http://dx.doi.org/10.1002/cphc.200900907DOI Listing
March 2010

Lithium argyrodites with phosphorus and arsenic: order and disorder of lithium atoms, crystal chemistry, and phase transitions.

Chemistry 2010 Feb;16(7):2198-206

University of Siegen, Inorganic Chemistry I, Adolf Reichwein Strasse 2, 57068 Siegen, Germany.

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http://dx.doi.org/10.1002/chem.200902470DOI Listing
February 2010

On the role of the solvent in biosystems: atomistic insights from computer simulations.

Authors:
Dirk Zahn

Front Biosci (Landmark Ed) 2009 Jan 1;14:3586-93. Epub 2009 Jan 1.

Max-Planck Institut fuer Chemische Physik fester Stoffe, Noethnitzer Str. 40, 01187 Dresden, Germany.

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http://dx.doi.org/10.2741/3473DOI Listing
January 2009

The nucleation mechanism of fluorapatite-collagen composites: ion association and motif control by collagen proteins.

Angew Chem Int Ed Engl 2008 ;47(27):4982-5

Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzerstrasse 40, 01187 Dresden, Germany.

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http://dx.doi.org/10.1002/anie.200800908DOI Listing
August 2008

Atomistic mechanisms of ZnO aggregation from ethanolic solution: ion association, proton transfer, and self-organization.

Nano Lett 2008 Aug 24;8(8):2336-40. Epub 2008 Jun 24.

Max-Planck Institut für Chemische Physik fester Stoffe, Dresden, Germany.

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http://dx.doi.org/10.1021/nl801169xDOI Listing
August 2008

Minimum energy pathways of brittle and ductile deformation/fracture processes.

Authors:
Dirk Zahn

J Chem Phys 2008 May;128(18):184707

Max-Planck Institut für Chemische Physik fester Stoffe, Nöthnitzer Strasse 40, Dresden, Germany.

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http://aip.scitation.org/doi/10.1063/1.2918280
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http://dx.doi.org/10.1063/1.2918280DOI Listing
May 2008

On the atomistic mechanisms of alkane (methane-pentane) separation by distillation: a molecular dynamics study.

Authors:
Dirk Zahn

J Phys Chem B 2007 Nov 6;111(43):12518-23. Epub 2007 Oct 6.

Max-Planck Institut, für Chemische Physik fester Stoffe, Nöthnitzer Strasse 40, 01187 Dresden, Germany.

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http://dx.doi.org/10.1021/jp073542cDOI Listing
November 2007

Hypogonadotropic hypogonadism in mice lacking a functional Kiss1 gene.

Proc Natl Acad Sci U S A 2007 Jun 11;104(25):10714-9. Epub 2007 Jun 11.

Reproductive Physiology Group, Department of Physiology, Development, and Neuroscience, University of Cambridge, Cambridge CB2 3EG, United Kingdom.

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http://dx.doi.org/10.1073/pnas.0704114104DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1965578PMC
June 2007

Control of channel shapes in a microporous manganese(II)-borophosphate framework by variation of size and shape of organic template cations.

Chemistry 2007 ;13(6):1737-45

Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Str. 40, 01187 Dresden, Germany.

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http://dx.doi.org/10.1002/chem.200601349DOI Listing
May 2007

Atomistic mechanisms of phase separation and formation of solid solutions: model studies of NaCl, NaCl-NaF, and Na(Cl1-xBrx) crystallization from the melt.

Authors:
Dirk Zahn

J Phys Chem B 2007 May 18;111(19):5249-53. Epub 2007 Apr 18.

Max-Planck Institut für Chemische Physik fester Stoffe, Nöthnitzer Strasse 40, 01187 Dresden, Germany.

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http://dx.doi.org/10.1021/jp068766uDOI Listing
May 2007

Competing evaporation and condensation processes during the boiling of methane.

Authors:
Dirk Zahn

J Phys Chem B 2006 Oct;110(39):19601-4

Max-Planck Institut für Chemische Physik fester Stoffe, Nöthnitzer Strasse 40, 01187 Dresden, Germany.

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http://pubs.acs.org/doi/abs/10.1021/jp062221i
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http://dx.doi.org/10.1021/jp062221iDOI Listing
October 2006

Mechanisms and nucleation characteristics of the pressure-induced B1-B2 transition in potassium halides: a question of ion hardness and softness.

J Phys Chem B 2006 Jun;110(22):10873-7

Max-Planck Institut für Chemische Physik fester Stoffe, Nöthnitzer Str. 40, 01187 Dresden, Germany.

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http://dx.doi.org/10.1021/jp061538fDOI Listing
June 2006

Biomimetic fluorapatite-gelatine nanocomposites: pre-structuring of gelatine matrices by ion impregnation and its effect on form development.

Angew Chem Int Ed Engl 2006 Mar;45(12):1905-10

Max Planck Institute for the Chemical Physics of Solids, Dresden, Germany.

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http://dx.doi.org/10.1002/anie.200503610DOI Listing
March 2006

Exploring the Mechanisms of Reactions in Solution from Transition Path Sampling Molecular Dynamics Simulations.

Authors:
Dirk Zahn

J Chem Theory Comput 2006 Jan;2(1):107-14

Max-Planck Institut für Chemische Physik fester Stoffe, Nöthnitzer Strasse 40, 01187 Dresden, Germany.

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http://pubs.acs.org/doi/abs/10.1021/ct0501755
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January 2006

An atomistic simulation scheme for modeling crystal formation from solution.

J Chem Phys 2006 Jan;124(2):024513

Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzerstrasse 40, D-01087 Dresden, Germany.

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http://dx.doi.org/10.1063/1.2145677DOI Listing
January 2006

Unprejudiced identification of reaction mechanisms from biased transition path sampling.

Authors:
Dirk Zahn

J Chem Phys 2005 Jul;123(4):044104

Max-Planck Institut für Chemische Physik fester Stoffe, Nöthnitzer Strasse 40, 01187 Dresden, Germany.

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http://dx.doi.org/10.1063/1.1950672DOI Listing
July 2005

How does water boil?

Authors:
Dirk Zahn

Phys Rev Lett 2004 Nov 22;93(22):227801. Epub 2004 Nov 22.

Max-Planck Institut für Chemische Physik fester Stoffe, Nöthnitzer Strasse 40, 01187 Dresden, Germany.

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http://dx.doi.org/10.1103/PhysRevLett.93.227801DOI Listing
November 2004

Nucleation and growth in pressure-induced phase transitions from molecular dynamics simulations: mechanism of the reconstructive transformation of NaCl to the CsCl-type structure.

Phys Rev Lett 2004 Jun 24;92(25 Pt 1):250201. Epub 2004 Jun 24.

Max-Planck Institute for Chemical Physics of Solids, 01187 Dresden, Germany.

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http://dx.doi.org/10.1103/PhysRevLett.92.250201DOI Listing
June 2004

Atomistic mechanism of NaCl nucleation from an aqueous solution.

Authors:
Dirk Zahn

Phys Rev Lett 2004 Jan 27;92(4):040801. Epub 2004 Jan 27.

Max-Planck Institut für Chemische Physik fester Stoffe, Nöthnitzer Strasse 40, 01187 Dresden, Germany.

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http://dx.doi.org/10.1103/PhysRevLett.92.040801DOI Listing
January 2004

Stella is a maternal effect gene required for normal early development in mice.

Curr Biol 2003 Dec;13(23):2110-7

Wellcome Trust/Cancer Research UK Institute of Cancer and Developmental Biology, University of Cambridge, Tennis Court Road, Cambridge CB2 1QR, United Kingdom.

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http://dx.doi.org/10.1016/j.cub.2003.11.026DOI Listing
December 2003