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Control of Channel Shapes in a Microporous Manganese(II)-Borophosphate Framework by Variation of Size and Shape of Organic Template Cations.
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- Chemistry - A European Journal, 2007, v. 13, n. 6, p. 1737, doi. 10.1002/chem.200601349
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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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- Article
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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- Article
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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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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Molecular mechanisms of mesoporous silica formation from colloid solution: Ripening-reactions arrest hollow network structures.
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- PLoS ONE, 2019, v. 14, n. 3, p. 1, doi. 10.1371/journal.pone.0212731
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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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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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Molecular dynamics simulation of ionic conductors: perspectives and limitations.
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- Journal of Molecular Modeling, 2011, v. 17, n. 7, p. 1531, doi. 10.1007/s00894-010-0877-3
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On the molecular mechanisms of the acid-induced dissociation of hydroxy-apatite in water.
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- Journal of Molecular Modeling, 2011, v. 17, n. 6, p. 1525, doi. 10.1007/s00894-010-0855-9
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Atomistic modeling of apatite-collagen composites from molecular dynamics simulations extended to hyperspace.
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- Journal of Molecular Modeling, 2011, v. 17, n. 1, p. 73, doi. 10.1007/s00894-010-0707-7
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Fluctuations in surface pH of maturing rat incisor enamel are a result of cycles of H<sup>+</sup>‐secretion by ameloblasts and variations in enamel buffer characteristics (1098.1).
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- FASEB Journal, 2014, v. 28, p. N.PAG, doi. 10.1096/fasebj.28.1_supplement.1098.1
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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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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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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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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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From Composites to Solid Solutions: Modeling of Ionic Conductivity in the CaF<sub>2</sub>-BaF<sub>2</sub> System.
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- Chemistry - A European Journal, 2012, v. 18, n. 20, p. 6225, doi. 10.1002/chem.201102410
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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.
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- Chemistry - A European Journal, 2012, v. 18, n. 13, p. 4000, doi. 10.1002/chem.201102228
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Size-Dependent Phase Stability of a Molecular Nanocrystal: a Proxy for Investigating the Early Stages of Crystallization.
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- Chemistry - A European Journal, 2011, v. 17, n. 40, p. 11186, doi. 10.1002/chem.201100710
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Hydrolysis of a Basic Bismuth Nitrate-Formation and Stability of Novel Bismuth Oxido Clusters.
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- Chemistry - A European Journal, 2011, v. 17, n. 25, p. 6985, doi. 10.1002/chem.201100673
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Atomistic In Situ Investigation of the Morphogenesis of Grains during Pressure-Induced Phase Transitions: Molecular Dynamics Simulations of the B1-B2 Transformation of RbCl.
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- Chemistry - A European Journal, 2010, v. 16, n. 45, p. 13385, doi. 10.1002/chem.201001481
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Atomistic Characterisation of Li<sup>+</sup> Mobility and Conductivity in Li<sub>7− x</sub>PS<sub>6− x</sub>I<sub> x</sub> Argyrodites from Molecular Dynamics Simulations, Solid-State NMR, and Impedance Spectroscopy.
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- Chemistry - A European Journal, 2010, v. 16, n. 28, p. 8347, doi. 10.1002/chem.201000501
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Lithium Argyrodites with Phosphorus and Arsenic: Order and Disorder of Lithium Atoms, Crystal Chemistry, and Phase Transitions.
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- Chemistry - A European Journal, 2010, v. 16, n. 7, p. 2198, doi. 10.1002/chem.200902470
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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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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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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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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...
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- Angewandte Chemie, 2006, v. 118, n. 12, p. 1853, doi. 10.1002/ange.200690040
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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.
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- Angewandte Chemie, 2006, v. 118, n. 12, p. 1945, doi. 10.1002/ange.200504465
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- Article
Biomimetische Fluorapatit-Gelatine-Nanokomposite: Vorstrukturierung von Gelatine-Matrices durch Ionenimprägnierung und Auswirkungen auf die FormentwicklungWir danken dem Fonds der Chemischen Industrie für großzügige...
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- Angewandte Chemie, 2006, v. 118, n. 12, p. 1939, doi. 10.1002/ange.200503610
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Towards an atomistic understanding of apatite–collagen biomaterials: linking molecular simulation studies of complex-, crystal- and composite-formation to experimental findings.
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- Journal of Materials Science, 2007, v. 42, n. 21, p. 8966, doi. 10.1007/s10853-007-1586-x
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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.
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- Angewandte Chemie International Edition, 2006, v. 45, n. 12, p. 1911, doi. 10.1002/anie.200504465
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Cover Picture: Biomimetic Fluorapatite–Gelatine Nanocomposites: Pre-Structuring of Gelatine Matrices by Ion Impregnation and Its Effect on Form Development / Intrinsic Electric Dipole Fields and the Induction of Hierarchical Form Developments in Fluorapatite–Gelatine Nanocomposites: A General Principle for Morphogenesis of Biominerals? (Angew. Chem. Int. Ed. 12/2006)
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- Angewandte Chemie International Edition, 2006, v. 45, n. 12, p. 1821, doi. 10.1002/anie.200690040
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Biomimetic Fluorapatite–Gelatine Nanocomposites: Pre-Structuring of Gelatine Matrices by Ion Impregnation and Its Effect on Form DevelopmentWe gratefully acknowledge the Fonds der Chemischen Industrie for financial support.
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- Angewandte Chemie International Edition, 2006, v. 45, n. 12, p. 1905, doi. 10.1002/anie.200503610
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Characterization and functional study of a cluster of four highly conserved orphan adhesion-GPCR in mouse.
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- Developmental Dynamics, 2012, v. 241, n. 10, p. 1591, doi. 10.1002/dvdy.23841
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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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- Article