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Nucleation Behavior of SnS<sub>2</sub> on Thiol Functionalized SAMs During Solution‐Based Atomic Layer Deposition.
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- Advanced Materials Interfaces, 2024, v. 11, n. 26, p. 1, doi. 10.1002/admi.202300990
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The nano- and meso-scale structure of amorphous calcium carbonate.
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- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-10627-9
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Deciphering the molecular mechanism of water boiling at heterogeneous interfaces.
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- Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-99229-5
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- Article
Synthesis and Characterization of Gelatin-Based Magnetic Hydrogels.
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- Advanced Functional Materials, 2014, v. 24, n. 21, p. 3187, doi. 10.1002/adfm.201303547
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The nano- and meso-scale structure of amorphous calcium carbonate.
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- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-10627-9
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- Article
Thermal Stability and CO Permeability of [C<sub>4</sub>C<sub>1</sub>Pyr][NTf<sub>2</sub>]/Pd(111) Model SCILLs: from UHV to Ambient Pressure.
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- Topics in Catalysis, 2023, v. 66, n. 15/16, p. 1202, doi. 10.1007/s11244-023-01798-4
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Interfaces in reinforced epoxy resins: from molecular scale understanding towards mechanical properties.
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- Journal of Molecular Modeling, 2023, v. 29, n. 8, p. 1, doi. 10.1007/s00894-023-05654-w
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Molecular dynamics simulation study of NH<sub>4</sub><sup>+</sup> and NH<sub>2</sub><sup>−</sup> in liquid ammonia: interaction potentials, structural and dynamical properties.
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- Journal of Molecular Modeling, 2022, v. 28, n. 5, p. 1, doi. 10.1007/s00894-022-05110-1
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Benchmarking and optimization of molecular simulation models of zinc dialkyldithiophosphate and calcium sulfonate oil additives.
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- Journal of Molecular Modeling, 2019, v. 25, n. 4, p. N.PAG, doi. 10.1007/s00894-019-3980-0
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Improved GAFF2 parameters for fluorinated alkanes and mixed hydro- and fluorocarbons.
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- Journal of Molecular Modeling, 2019, v. 25, n. 2, p. 1, doi. 10.1007/s00894-018-3911-5
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Molecular modeling of amorphous, non-woven polymer networks.
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- Journal of Molecular Modeling, 2015, v. 21, n. 10, p. 1, doi. 10.1007/s00894-015-2819-6
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Charge distribution analysis in $$ {\mathbf{Ag}}_{\mathbf{n}}^{\mathbf{m}+} $$clusters: molecular modeling and DFT calculations.
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- Journal of Molecular Modeling, 2014, v. 20, n. 3, p. 1, doi. 10.1007/s00894-014-2111-1
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A test of improved force field parameters for urea: molecular-dynamics simulations of urea crystals.
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- Journal of Molecular Modeling, 2012, v. 18, n. 8, p. 3455, doi. 10.1007/s00894-011-1336-5
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Molecular mechanics modeling of azobenzene-based photoswitches.
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- Journal of Molecular Modeling, 2012, v. 18, n. 6, p. 2479, doi. 10.1007/s00894-011-1270-6
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Shearing mechanisms of MgSiO<sub>3</sub> at conditions of the Earth's D″ layer.
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- Geophysical Research Letters, 2011, v. 38, n. 16, p. n/a, doi. 10.1029/2011GL048203
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Thermodynamics and Kinetics of Prenucleation Clusters, Classical and Non-Classical Nucleation.
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- ChemPhysChem, 2015, v. 16, n. 10, p. 2069, doi. 10.1002/cphc.201500231
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Fluorapatite-Gelatine Nanocomposite Superstructures: New Insights into a Biomimetic System of High Complexity.
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- ChemPhysChem, 2010, v. 11, n. 9, p. 1851, doi. 10.1002/cphc.201000232
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Inside Cover: Fluorapatite-Gelatine Nanocomposite Superstructures: New Insights into a Biomimetic System of High Complexity (ChemPhysChem 9/2010).
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- ChemPhysChem, 2010, v. 11, n. 9, p. 1794, doi. 10.1002/cphc.201090041
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Motif Reconstruction in Clusters and Layers: Benchmarks for the Kawska-Zahn Approach to Model Crystal Formation.
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- ChemPhysChem, 2010, v. 11, n. 4, p. 847, doi. 10.1002/cphc.200900907
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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).
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- Chemistry - A European Journal, 2024, v. 30, n. 57, p. 1, doi. 10.1002/chem.202485704
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Assessing Solid Catalysts with Ionic Liquid Layers (SCILL) from Molecular Dynamics Simulations: On the Role of Local Charge Polarization.
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- Chemistry - A European Journal, 2024, v. 30, n. 57, p. 1, doi. 10.1002/chem.202402036
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Atomistisches Verständnis der Keimbildung und des Kristallwachstums durch molekulare Simulationen.
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- Angewandte Chemie, 2011, v. 123, n. 9, p. 2042, doi. 10.1002/ange.201000463
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A Molecular Rationale of Shock Absorption and Self-Healing in a Biomimetic Apatite-Collagen Composite under Mechanical Load.
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- Angewandte Chemie, 2010, v. 122, n. 49, p. 9595, doi. 10.1002/ange.201002663
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Assessing the mechanical properties of molecular materials from atomic simulation.
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- AIMS Materials Science, 2021, v. 8, n. 6, p. 867, doi. 10.3934/matersci.2021053
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Molecular Mechanisms of ZnO Nanoparticle Dispersion in Solution: Modeling of Surfactant Association, Electrostatic Shielding and Counter Ion Dynamics.
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- PLoS ONE, 2015, v. 10, n. 5, p. 1, doi. 10.1371/journal.pone.0125872
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Shearing in a Biomimetic Apatite-Protein Composite: Molecular Dynamics of Slip Zone Formation, Plastic Flow and Backcreep Mechanisms.
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- PLoS ONE, 2014, v. 9, n. 4, p. 1, doi. 10.1371/journal.pone.0093309
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The Orphan Adhesion-GPCR GPR126 Is Required for Embryonic Development in the Mouse.
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- PLoS ONE, 2010, v. 5, n. 11, p. 1, doi. 10.1371/journal.pone.0014047
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Efficient Assessment of 'Instantaneous pK' Values from Molecular Dynamics Simulations.
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- ChemPhysChem, 2024, v. 25, n. 1, p. 1, doi. 10.1002/cphc.202300489
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- Article
On the Role of Amides and Imides for Understanding GaN Syntheses from Ammonia Solution: Molecular Mechanics Models of Ammonia, Amide and Imide Interactions with Gallium Nitride.
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- ChemPhysChem, 2022, v. 23, n. 13, p. 1, doi. 10.1002/cphc.202200117
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Tailored Solution‐Based N‐heterotriangulene Thin Films: Unravelling the Self‐Assembly.
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- ChemPhysChem, 2021, v. 22, n. 11, p. 1079, doi. 10.1002/cphc.202100164
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Supraparticles for Bare‐Eye H<sub>2</sub> Indication and Monitoring: Design, Working Principle, and Molecular Mobility (Adv. Funct. Mater. 22/2022).
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- Advanced Functional Materials, 2022, v. 32, n. 22, p. 1, doi. 10.1002/adfm.202112379
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Supraparticles for Bare‐Eye H<sub>2</sub> Indication and Monitoring: Design, Working Principle, and Molecular Mobility.
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- Advanced Functional Materials, 2022, v. 32, n. 22, p. 1, doi. 10.1002/adfm.202112379
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Superoleophilic Magnetic Iron Oxide Nanoparticles for Effective Hydrocarbon Removal from Water.
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- Advanced Functional Materials, 2019, v. 29, n. 15, p. N.PAG, doi. 10.1002/adfm.201805742
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Local Charge Distribution in Ga x Pd y Intermetallics: Characterizing Catalyst Surfaces from Large-Scale Molecular Mechanics Simulations.
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- Crystals (2073-4352), 2024, v. 14, n. 7, p. 592, doi. 10.3390/cryst14070592
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Nonclassical Nucleation—Role of Metastable Intermediate Phase in Crystal Nucleation: An Editorial Prefix.
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- Crystals (2073-4352), 2021, v. 11, n. 2, p. 174, doi. 10.3390/cryst11020174
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Organic Nucleation: Water Rearrangement Reveals the Pathway of Ibuprofen.
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- Small, 2024, v. 20, n. 25, p. 1, doi. 10.1002/smll.202307858
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On the Crystal Structure of RE<sub>3</sub>[BS<sub>3</sub>]<sub>2</sub>[BS<sub>4</sub>]<sub>3</sub>S<sub>3</sub> (RE = Dy -Lu).
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- Zeitschrift für Anorganische und Allgemeine Chemie, 2010, v. 636, n. 11, p. 2101, doi. 10.1002/zaac.201009106
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Motif Identification in Materials Simulations.
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- Zeitschrift für Anorganische und Allgemeine Chemie, 2009, v. 635, n. 4, p. 649, doi. 10.1002/zaac.200900013
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Sublattice Melting by Pressure: Superionic Conduction in Low-Dimensional Phase Interfaces.
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- Zeitschrift für Anorganische und Allgemeine Chemie, 2006, v. 632, n. 12/13, p. 2121, doi. 10.1002/zaac.200670090
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Full-Featured Simulation of Reconstructive Solid-Solid Phase Transitions.
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- Zeitschrift für Anorganische und Allgemeine Chemie, 2006, v. 632, n. 12/13, p. 2086, doi. 10.1002/zaac.200670021
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Investigation of Crystal Formation from Molecular Dynamics Simulation.
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- Zeitschrift für Anorganische und Allgemeine Chemie, 2006, v. 632, n. 12/13, p. 2085, doi. 10.1002/zaac.200670019
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- Article
The Role of Substitutional Defects in Order/Disorder Phenomena of OH− Ions in Hydroxyapatite.
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- Zeitschrift für Anorganische und Allgemeine Chemie, 2006, v. 632, n. 1, p. 79, doi. 10.1002/zaac.200500350
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From Amorphous Aggregates to Crystallites: Modelling Studies of Crystal Growth in VacuumProfessor Rdiger Kniep zum 60. Geburtstag gewidmet.
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- Zeitschrift für Anorganische und Allgemeine Chemie, 2005, v. 631, n. 6/7, p. 1172, doi. 10.1002/zaac.200400548
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A Molecular Dynamics Simulation Study of (OH-) Schottky Defects in HydroxyapatiteHerrn Professor Rdiger Kniep zum 60. Geburtstag gewidmet.
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- Zeitschrift für Anorganische und Allgemeine Chemie, 2005, v. 631, n. 6/7, p. 1134, doi. 10.1002/zaac.200400529
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On the Mechanism of the Pressure Driven B1-B2 Transition in NaCl.
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- Zeitschrift für Anorganische und Allgemeine Chemie, 2004, v. 630, n. 11, p. 1740, doi. 10.1002/zaac.200470094
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Über die Anordnung der OH--Ionen in Hydroxylapatit.
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- Zeitschrift für Anorganische und Allgemeine Chemie, 2004, v. 630, n. 11, p. 1728, doi. 10.1002/zaac.200470071
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Magnetic water cleaning.
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- Nachrichten aus der Chemie, 2021, v. 69, n. 9, p. 43, doi. 10.1002/nadc.20214116548
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Mit Simulationen Nanokristallen und -kompositen auf der Spur.
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- Nachrichten aus der Chemie, 2012, v. 60, n. 9, p. 868, doi. 10.1002/nadc.201290305
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Nanoparticle Surfaces: Mixed Organic Ligand Shells: Controlling the Nanoparticle Surface Morphology toward Tuning the Optoelectronic Properties (Small 2/2020).
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- Small, 2020, v. 16, n. 2, p. N.PAG, doi. 10.1002/smll.202070009
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Mixed Organic Ligand Shells: Controlling the Nanoparticle Surface Morphology toward Tuning the Optoelectronic Properties.
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- Small, 2020, v. 16, n. 2, p. N.PAG, doi. 10.1002/smll.201903729
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- Article