Works by Zahn, Dirk

Results: 102

Atomistisches Verständnis der Keimbildung und des Kristallwachstums durch molekulare Simulationen.

Published in:

Angewandte Chemie, 2011, v. 123, n. 9, p. 2042, doi. 10.1002/ange.201000463

By:

Anwar, Jamshed;
Zahn, Dirk

Publication type:

Article

A Molecular Rationale of Shock Absorption and Self-Healing in a Biomimetic Apatite-Collagen Composite under Mechanical Load.

Published in:

Angewandte Chemie, 2010, v. 122, n. 49, p. 9595, doi. 10.1002/ange.201002663

By:

Zahn, Dirk

Publication type:

Article

Titelbild: Biomimetische Fluorapatit-Gelatine-Nanokomposite: Vorstrukturierung von Gelatine-Matrices durch Ionenimprägnierung und Auswirkungen auf die Formentwicklung / Intrinsic Electric Dipole Fields and the Induction of Hierarchical Form...

Published in:

Angewandte Chemie, 2006, v. 118, n. 12, p. 1853, doi. 10.1002/ange.200690040

By:

Harald Tlatlik;
Paul Simon;
Agnieszka Kawska;
Dirk Zahn;
Rüdiger Kniep;
Hannes Lichte

Publication type:

Article

Intrinsic Electric Dipole Fields and the Induction of Hierarchical Form Developments in Fluorapatite–Gelatine Nanocomposites: A General Principle for Morphogenesis of Biominerals?We thank the Fonds der Chemischen Industrie for generous support. We also thank Dr. W. Carrillo-Cabrera and Dr. P. Formanek for fruitful discussions and experimental help with FIB.

Published in:

Angewandte Chemie, 2006, v. 118, n. 12, p. 1945, doi. 10.1002/ange.200504465

By:

Paul Simon;
Dirk Zahn;
Hannes Lichte;
Rüdiger Kniep

Publication type:

Article

Biomimetische Fluorapatit-Gelatine-Nanokomposite: Vorstrukturierung von Gelatine-Matrices durch Ionenimprägnierung und Auswirkungen auf die FormentwicklungWir danken dem Fonds der Chemischen Industrie für großzügige...

Published in:

Angewandte Chemie, 2006, v. 118, n. 12, p. 1939, doi. 10.1002/ange.200503610

By:

Harald Tlatlik;
Paul Simon;
Agnieszka Kawska;
Dirk Zahn;
Rüdiger Kniep

Publication type:

Article

Synthesis and Characterization of Gelatin-Based Magnetic Hydrogels.

Published in:

Advanced Functional Materials, 2014, v. 24, n. 21, p. 3187, doi. 10.1002/adfm.201303547

By:

Helminger, Maria;
Wu, Baohu;
Kollmann, Tina;
Benke, Dominik;
Schwahn, Dietmar;
Pipich, Vitaliy;
Faivre, Damien;
Zahn, Dirk;
Cölfen, Helmut

Publication type:

Article

Investigations on the growth of bismuth oxido clusters and the nucleation to give metastable bismuth oxide modifications.

Published in:

Zeitschrift für Kristallographie. Crystalline Materials, 2017, v. 232, n. 1-3, p. 185, doi. 10.1515/zkri-2016-1970

By:

Weber, Marcus;
Schlesinger, Maik;
Mehring, Michael;
Walther, Markus;
Zahn, Dirk;
Schalley, Christoph A.

Publication type:

Article

Fundamental theoretical and practical investigations of the polymorph formation of small amphiphilic molecules, their co-crystals and salts.

Published in:

Zeitschrift für Kristallographie. Crystalline Materials, 2017, v. 232, n. 1-3, p. 55, doi. 10.1515/zkri-2016-1977

By:

Martin, Thomas;
Niemietz, Paul;
Greim, Dominik;
Senker, Jürgen;
Breu, Josef;
Ectors, Philipp;
Zahn, Dirk

Publication type:

Article

The formation of CdS quantum dots and Au nanoparticles.

Published in:

Zeitschrift für Kristallographie. Crystalline Materials, 2017, v. 232, n. 1-3, p. 39, doi. 10.1515/zkri-2016-1978

By:

Schiener, Andreas;
Schmidt, Ella;
Bergmann, Christoph;
Seifert, Soenke;
Zahn, Dirk;
Krach, Alexander;
Weihrich, Richard;
Magerl, Andreas

Publication type:

Article

Magnetic water cleaning.

Published in:

Nachrichten aus der Chemie, 2021, v. 69, n. 9, p. 43, doi. 10.1002/nadc.20214116548

By:

Halik, Markus;
Sarcletti, Marco;
Zahn, Dirk

Publication type:

Article

Mit Simulationen Nanokristallen und -kompositen auf der Spur.

Published in:

Nachrichten aus der Chemie, 2012, v. 60, n. 9, p. 868, doi. 10.1002/nadc.201290305

By:

Milek, Theodor;
Duchstein, Patrick;
Zahn, Dirk

Publication type:

Article

Shearing mechanisms of MgSiO3 at conditions of the Earth's D″ layer.

Published in:

Geophysical Research Letters, 2011, v. 38, n. 16, p. n/a, doi. 10.1029/2011GL048203

By:

Zahn, Dirk

Publication type:

Article

Cover Feature: Assessing Solid Catalysts with Ionic Liquid Layers (SCILL) from Molecular Dynamics Simulations: On the Role of Local Charge Polarization (Chem. Eur. J. 57/2024).

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 57, p. 1, doi. 10.1002/chem.202485704

By:

Trzeciak, Simon;
Zahn, Dirk

Publication type:

Article

Assessing Solid Catalysts with Ionic Liquid Layers (SCILL) from Molecular Dynamics Simulations: On the Role of Local Charge Polarization.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 57, p. 1, doi. 10.1002/chem.202402036

By:

Trzeciak, Simon;
Zahn, Dirk

Publication type:

Article

Self‐Assembled Supported Ionic Liquids.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 6, p. 1, doi. 10.1002/chem.202303673

By:

Tavera‐Méndez, Cindy‐Ly;
Bergen, Alexander;
Trzeciak, Simon;
Heinemann, Frank W.;
Graf, Robert;
Zahn, Dirk;
Meyer, Karsten;
Hartmann, Martin;
Wisser, Dorothea

Publication type:

Article

Structure Formation in an Ionic Liquid Wetting Layer: A Combined STM, IRAS, DFT and MD Study of [C2C1Im][OTf] on Au(111).

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 46, p. 1, doi. 10.1002/chem.202301328

By:

Bühlmeyer, Hanna;
Hauner, Jonas;
Eschenbacher, Roman;
Steffen, Julien;
Trzeciak, Simon;
Taccardi, Nicola;
Görling, Andreas;
Zahn, Dirk;
Wasserscheid, Peter;
Libuda, Jörg

Publication type:

Article

Titelbild: Small‐Molecular‐Weight Additives Modulate Calcification by Interacting with Prenucleation Clusters on the Molecular Level (Angew. Chem. 40/2022).

Published in:

Angewandte Chemie, 2022, v. 134, n. 40, p. 1, doi. 10.1002/ange.202212472

By:

Duchstein, Patrick;
Schodder, Philipp I.;
Leupold, Simon;
Dao, Thi Q. N.;
Kababya, Shifi;
Cicconi, Maria R.;
de Ligny, Dominique;
Pipich, Vitaliy;
Eike, David;
Schmidt, Asher;
Zahn, Dirk;
Wolf, Stephan E.

Publication type:

Article

Small‐Molecular‐Weight Additives Modulate Calcification by Interacting with Prenucleation Clusters on the Molecular Level**.

Published in:

Angewandte Chemie, 2022, v. 134, n. 40, p. 1, doi. 10.1002/ange.202208475

By:

Duchstein, Patrick;
Schodder, Philipp I.;
Leupold, Simon;
Dao, Thi Q. N.;
Kababya, Shifi;
Cicconi, Maria R.;
de Ligny, Dominique;
Pipich, Vitaliy;
Eike, David;
Schmidt, Asher;
Zahn, Dirk;
Wolf, Stephan E.

Publication type:

Article

Gezielte Dehydratisierung als Synthesewerkzeug zur Herstellung eines neuen Na4SnS4‐Polymorphs: Kristallstruktur, Na+‐Leitfähigkeit und Einfluss der Sb‐Substitution.

Published in:

Angewandte Chemie, 2022, v. 134, n. 36, p. 1, doi. 10.1002/ange.202202182

By:

Hartmann, Felix;
Benkada, Assma;
Indris, Sylvio;
Poschmann, Michael;
Lühmann, Henning;
Duchstein, Patrick;
Zahn, Dirk;
Bensch, Wolfgang

Publication type:

Article

Towards an atomistic understanding of apatite–collagen biomaterials: linking molecular simulation studies of complex-, crystal- and composite-formation to experimental findings.

Published in:

Journal of Materials Science, 2007, v. 42, n. 21, p. 8966, doi. 10.1007/s10853-007-1586-x

By:

Zahn, Dirk;
Hochrein, Oliver;
Kawska, Agnieszka;
Brickmann, Jürgen;
Kniep, Rüdiger

Publication type:

Article

Local Charge Distribution in Ga x Pd y Intermetallics: Characterizing Catalyst Surfaces from Large-Scale Molecular Mechanics Simulations.

Published in:

Crystals (2073-4352), 2024, v. 14, n. 7, p. 592, doi. 10.3390/cryst14070592

By:

Wonglakhon, Tanakorn;
Maisel, Sven;
Görling, Andreas;
Zahn, Dirk

Publication type:

Article

Nonclassical Nucleation—Role of Metastable Intermediate Phase in Crystal Nucleation: An Editorial Prefix.

Published in:

Crystals (2073-4352), 2021, v. 11, n. 2, p. 174, doi. 10.3390/cryst11020174

By:

Zhang, Fajun;
Gavira, José A.;
Lee, Geun Woo;
Zahn, Dirk;
Rodriguez-Navarro, Carlos

Publication type:

Article

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

Published in:

Journal of Molecular Modeling, 2019, v. 25, n. 4, p. N.PAG, doi. 10.1007/s00894-019-3980-0

By:

Ectors, Philipp;
Zahn, Dirk

Publication type:

Article

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

Published in:

Journal of Molecular Modeling, 2019, v. 25, n. 2, p. 1, doi. 10.1007/s00894-018-3911-5

By:

Träg, Johannes;
Zahn, Dirk

Publication type:

Article

Molecular modeling of amorphous, non-woven polymer networks.

Published in:

Journal of Molecular Modeling, 2015, v. 21, n. 10, p. 1, doi. 10.1007/s00894-015-2819-6

By:

Krausse, Constantin A.;
Milek, Theodor;
Zahn, Dirk

Publication type:

Article

Charge distribution analysis in $$ {\mathbf{Ag}}_{\mathbf{n}}^{\mathbf{m}+} $$clusters: molecular modeling and DFT calculations.

Published in:

Journal of Molecular Modeling, 2014, v. 20, n. 3, p. 1, doi. 10.1007/s00894-014-2111-1

By:

Milek, Theodor;
Döpper, Tibor;
Neiss, Christian;
Görling, Andreas;
Zahn, Dirk

Publication type:

Article

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

Published in:

Journal of Molecular Modeling, 2012, v. 18, n. 8, p. 3455, doi. 10.1007/s00894-011-1336-5

By:

Özpınar, Gül;
Beierlein, Frank;
Peukert, Wolfgang;
Zahn, Dirk;
Clark, Timothy

Publication type:

Article

Molecular mechanics modeling of azobenzene-based photoswitches.

Published in:

Journal of Molecular Modeling, 2012, v. 18, n. 6, p. 2479, doi. 10.1007/s00894-011-1270-6

By:

Duchstein, Patrick;
Neiss, Christian;
Görling, Andreas;
Zahn, Dirk

Publication type:

Article

Molecular dynamics simulation of ionic conductors: perspectives and limitations.

Published in:

Journal of Molecular Modeling, 2011, v. 17, n. 7, p. 1531, doi. 10.1007/s00894-010-0877-3

By:

Zahn, Dirk

Publication type:

Article

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

Published in:

Journal of Molecular Modeling, 2011, v. 17, n. 6, p. 1525, doi. 10.1007/s00894-010-0855-9

By:

Hochrein, Oliver;
Zahn, Dirk

Publication type:

Article

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

Published in:

Journal of Molecular Modeling, 2011, v. 17, n. 1, p. 73, doi. 10.1007/s00894-010-0707-7

By:

Duchstein, Patrick;
Zahn, Dirk

Publication type:

Article

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

Published in:

ChemPhysChem, 2015, v. 16, n. 10, p. 2069, doi. 10.1002/cphc.201500231

By:

Zahn, Dirk

Publication type:

Article

Fluorapatite-Gelatine Nanocomposite Superstructures: New Insights into a Biomimetic System of High Complexity.

Published in:

ChemPhysChem, 2010, v. 11, n. 9, p. 1851, doi. 10.1002/cphc.201000232

By:

Brickmann, Jürgen;
Paparcone, Raffaella;
Kokolakis, Simon;
Zahn, Dirk;
Duchstein, Patrick;
Carrillo-Cabrera, Wilder;
Simon, Paul;
Kniep, Rüdiger

Publication type:

Article

Inside Cover: Fluorapatite-Gelatine Nanocomposite Superstructures: New Insights into a Biomimetic System of High Complexity (ChemPhysChem 9/2010).

Published in:

ChemPhysChem, 2010, v. 11, n. 9, p. 1794, doi. 10.1002/cphc.201090041

By:

Brickmann, Jürgen;
Paparcone, Raffaella;
Kokolakis, Simon;
Zahn, Dirk;
Duchstein, Patrick;
Carrillo-Cabrera, Wilder;
Simon, Paul;
Kniep, Rüdiger

Publication type:

Article

Motif Reconstruction in Clusters and Layers: Benchmarks for the Kawska-Zahn Approach to Model Crystal Formation.

Published in:

ChemPhysChem, 2010, v. 11, n. 4, p. 847, doi. 10.1002/cphc.200900907

By:

Milek, Theodor;
Duchstein, Patrick;
Seifert, Gotthard;
Zahn, Dirk

Publication type:

Article

Characterization and functional study of a cluster of four highly conserved orphan adhesion-GPCR in mouse.

Published in:

Developmental Dynamics, 2012, v. 241, n. 10, p. 1591, doi. 10.1002/dvdy.23841

By:

Prömel, Simone;
Waller-Evans, Helen;
Dixon, John;
Zahn, Dirk;
Colledge, William H.;
Doran, Joanne;
Carlton, Mark B.L.;
Grosse, Johannes;
Schöneberg, Torsten;
Russ, Andreas P.;
Langenhan, Tobias

Publication type:

Article

The nano- and meso-scale structure of amorphous calcium carbonate.

Published in:

Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-10627-9

By:

Clark, Simon M.;
Colas, Bruno;
Jacob, Dorrit E.;
Neuefeind, Joerg C.;
Wang, Hsiu-Wen;
Page, Katherine L.;
Soper, Alan K.;
Schodder, Philipp I.;
Duchstein, Patrick;
Zubiri, Benjamin Apeleo;
Yokosawa, Tadahiro;
Pipich, Vitaliy;
Zahn, Dirk;
Spiecker, Erdmann;
Wolf, Stephan E.

Publication type:

Article

Thermal Stability and CO Permeability of [C4C1Pyr][NTf2]/Pd(111) Model SCILLs: from UHV to Ambient Pressure.

Published in:

Topics in Catalysis, 2023, v. 66, n. 15/16, p. 1202, doi. 10.1007/s11244-023-01798-4

By:

Eschenbacher, Roman;
Trzeciak, Simon;
Schuschke, Christian;
Schötz, Simon;
Hohner, Chantal;
Blaumeiser, Dominik;
Zahn, Dirk;
Retzer, Tanja;
Libuda, Jörg

Publication type:

Article

Nanoparticle Surfaces: Mixed Organic Ligand Shells: Controlling the Nanoparticle Surface Morphology toward Tuning the Optoelectronic Properties (Small 2/2020).

Published in:

Small, 2020, v. 16, n. 2, p. N.PAG, doi. 10.1002/smll.202070009

By:

Henkel, Christian;
Wittmann, Judith E.;
Träg, Johannes;
Will, Johannes;
Stiegler, Lisa M. S.;
Strohriegl, Peter;
Hirsch, Andreas;
Unruh, Tobias;
Zahn, Dirk;
Halik, Marcus;
Guldi, Dirk M.

Publication type:

Article

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

Published in:

Small, 2020, v. 16, n. 2, p. N.PAG, doi. 10.1002/smll.201903729

By:

Henkel, Christian;
Wittmann, Judith E.;
Träg, Johannes;
Will, Johannes;
Stiegler, Lisa M. S.;
Strohriegl, Peter;
Hirsch, Andreas;
Unruh, Tobias;
Zahn, Dirk;
Halik, Marcus;
Guldi, Dirk M.

Publication type:

Article

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

Published in:

PLoS ONE, 2016, v. 11, n. 6, p. 1, doi. 10.1371/journal.pone.0157241

By:

Zahn, Dirk;
Duchstein, Patrick

Publication type:

Article

Molecular Mechanisms of [Bi6O4(OH)4](NO3)6 Precursor Activation, Agglomeration, and Ripening towards Bismuth Oxide Nuclei.

Published in:

European Journal of Inorganic Chemistry, 2015, v. 2015, n. 7, p. 1178, doi. 10.1002/ejic.201402751

By:

Walther, Markus;
Zahn, Dirk

Publication type:

Article

Uncovering Molecular Processes in Crystal Nucleation and Growth by Using Molecular Simulation.

Published in:

Angewandte Chemie International Edition, 2011, v. 50, n. 9, p. 1996, doi. 10.1002/anie.201000463

By:

Anwar, Jamshed;
Zahn, Dirk

Publication type:

Article

A Molecular Rationale of Shock Absorption and Self-Healing in a Biomimetic Apatite-Collagen Composite under Mechanical Load.

Published in:

Angewandte Chemie International Edition, 2010, v. 49, n. 49, p. 9405, doi. 10.1002/anie.201002663

By:

Zahn, Dirk

Publication type:

Article

The Nucleation Mechanism of Fluorapatite-Collagen Composites: Ion Association and Motif Control by Collagen Proteins.

Published in:

Angewandte Chemie International Edition, 2008, v. 47, n. 27, p. 4982, doi. 10.1002/anie.200800908

By:

Kawska, Agnieszka;
Hochrein, Oliver;
Brickmann, Jürgen;
Kniep, Rüdiger;
Zahn, Dirk

Publication type:

Article

Supraparticles for Bare‐Eye H2 Indication and Monitoring: Design, Working Principle, and Molecular Mobility (Adv. Funct. Mater. 22/2022).

Published in:

Advanced Functional Materials, 2022, v. 32, n. 22, p. 1, doi. 10.1002/adfm.202112379

By:

Reichstein, Jakob;
Schötz, Simon;
Macht, Moritz;
Maisel, Sven;
Stockinger, Nina;
Collados, Carlos Cuadrado;
Schubert, Katrin;
Blaumeiser, Dominik;
Wintzheimer, Susanne;
Görling, Andreas;
Thommes, Matthias;
Zahn, Dirk;
Libuda, Jörg;
Bauer, Tanja;
Mandel, Karl

Publication type:

Article

Supraparticles for Bare‐Eye H2 Indication and Monitoring: Design, Working Principle, and Molecular Mobility.

Published in:

Advanced Functional Materials, 2022, v. 32, n. 22, p. 1, doi. 10.1002/adfm.202112379

By:

Reichstein, Jakob;
Schötz, Simon;
Macht, Moritz;
Maisel, Sven;
Stockinger, Nina;
Collados, Carlos Cuadrado;
Schubert, Katrin;
Blaumeiser, Dominik;
Wintzheimer, Susanne;
Görling, Andreas;
Thommes, Matthias;
Zahn, Dirk;
Libuda, Jörg;
Bauer, Tanja;
Mandel, Karl

Publication type:

Article

Superoleophilic Magnetic Iron Oxide Nanoparticles for Effective Hydrocarbon Removal from Water.

Published in:

Advanced Functional Materials, 2019, v. 29, n. 15, p. N.PAG, doi. 10.1002/adfm.201805742

By:

Sarcletti, Marco;
Vivod, Dustin;
Luchs, Tobias;
Rejek, Tobias;
Portilla, Luis;
Müller, Lukas;
Dietrich, Hanno;
Hirsch, Andreas;
Zahn, Dirk;
Halik, Marcus

Publication type:

Article

Structure and interactions in benzamide molecular crystals.

Published in:

Molecular Simulation, 2013, v. 39, n. 13, p. 1079, doi. 10.1080/08927022.2013.794274

By:

Ectors, Philipp;
Ectors, Dominique;
Zahn, Dirk

Publication type:

Article

Tackling time-reversibility in transition path sampling molecular dynamics simulations.

Published in:

Molecular Simulation, 2012, v. 38, n. 3, p. 211, doi. 10.1080/08927022.2011.614241

By:

Zahn, Dirk

Publication type:

Article