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1259 Publications
2022 | Journal Article | LibreCat-ID: 45008
S. Taherivardanjani, J. Blasius, M. Brehm, R. Dötzer, and B. Kirchner, “Conformer Weighting and Differently Sized Cluster Weighting for Nicotine and its Phosphorus Derivatives,” J. Phys. Chem. A, vol. 126 (40), pp. 7070–7083, 2022, doi: 10.1021/acs.jpca.2c03133.
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2022 | Journal Article | LibreCat-ID: 45009
T. Frömbgen, J. Blasius, V. Alizadeh, A. Chaumont, M. Brehm, and B. Kirchner, “Cluster Analysis in Liquids: A Novel Tool in TRAVIS,” J. Chem. Inf. Model., vol. 62 (22), pp. 5634–5644, 2022, doi: 10.1021/acs.jcim.2c01244.
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2022 | Journal Article | LibreCat-ID: 33834
A. G. M. Mathieson et al., “A mechanistic study of the dopant-induced breakdown in halide perovskites using solid state energy storage devices,” Energy & Environmental Science, vol. 15, no. 10, pp. 4323–4337, 2022, doi: 10.1039/d2ee01754g.
LibreCat
| DOI
2022 | Preprint | LibreCat-ID: 32404
T. Kühne, C. Plessl, R. Schade, and O. Schütt, “CP2K on the road to exascale,” arXiv:2205.14741. 2022.
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| arXiv
2022 | Journal Article | LibreCat-ID: 33684 | 
R. Schade et al., “Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms,” Parallel Computing, vol. 111, Art. no. 102920, 2022, doi: 10.1016/j.parco.2022.102920.
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2022 | Journal Article | LibreCat-ID: 46479
K. Bobzin, C. Kalscheuer, G. Grundmeier, S. Kollmann, M. Carlet, and M. T. de los Arcos de Pedro, “Oxidation stability of chromium aluminum oxynitride hard coatings,” Surface and Coatings Technology, vol. 449, Art. no. 128927, 2022, doi: 10.1016/j.surfcoat.2022.128927.
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2022 | Conference Paper | LibreCat-ID: 35830
J. Elsner, C. Tenberge, and S. Fechner, “Modeling-based learning about chemical phenomena in primary education,” in Fostering scientific citizenship in an uncertain world (Proceedings of ESERA 2021), pp. 1241–1249.
LibreCat
2022 | Conference Paper | LibreCat-ID: 33559
J. Elsner, C. Tenberge, and S. Fechner, “Analogien zur Förderung schülerseitigen Modellierens im Sachunterricht,” in Unsicherheit als Element von naturwissenschaftsbezogenen Bildungsprozessen, 2022, vol. 42, pp. 500–503.
LibreCat
2022 | Journal Article | LibreCat-ID: 40987
S. Schlicher et al., “Quality or Quantity? How Structural Parameters Affect Catalytic Activity of Iron Oxides for CO Oxidation,” Catalysts, vol. 12, no. 6, Art. no. 675, 2022, doi: 10.3390/catal12060675.
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2022 | Journal Article | LibreCat-ID: 43021
B. Duderija et al., “Electrografting of BTSE: Zn films for advanced steel-aluminum joining by plastic deformation,” Journal of Advanced Joining Processes, vol. 7, Art. no. 100137, 2022, doi: 10.1016/j.jajp.2022.100137.
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2022 | Journal Article | LibreCat-ID: 32283
T. Schmolke, G. Meschut, F. Rieker, D. Meinderink, and G. Grundmeier, “Untersuchung von Klebverbindungen für Batteriegehäuse,” adhäsion KLEBEN & DICHTEN , vol. 66, pp. 40–43, 2022, doi: https://doi.org/10.1007/s35145-022-0596-9.
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2022 | Journal Article | LibreCat-ID: 40986
M. Nowakowski, A. Kalinko, J. Szlachetko, R. Fanselow, and M. Bauer, “High resolution off resonant spectroscopy as a probe of the oxidation state,” Journal of Analytical Atomic Spectrometry, vol. 37, no. 11, pp. 2383–2391, 2022, doi: 10.1039/d2ja00232a.
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2022 | Journal Article | LibreCat-ID: 40988
S. Weber et al., “Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation,” ChemCatChem, vol. 14, no. 8, 2022, doi: 10.1002/cctc.202101878.
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2022 | Journal Article | LibreCat-ID: 29790 |
L. Kothe, M. Albert, C. Meier, T. Wagner, and M. Tiemann, “Stimulation and Enhancement of Near‐Band‐Edge Emission in Zinc Oxide by Distributed Bragg Reflectors,” Advanced Materials Interfaces, Art. no. 2102357, 2022, doi: 10.1002/admi.202102357.
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2021 | Book Chapter | LibreCat-ID: 24935 |
A. Bauer, M. Sacher, S. Habig, and S. Fechner, “Laborpraktika auf Distanz. Ansätze in den Naturwissenschaften,” in Hochschule auf Abstand. Ein multiperspektivischer Zugang zur digitalen Lehre, vol. 3, I. Neiske, J. Osthushenrich, N. Schaper, U. Trier, and N. Vöing, Eds. Bielefeld: transcript Verlag, 2021, pp. 155–168.
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2021 | Journal Article | LibreCat-ID: 25182
Y. Zhang et al., “Water or Anion? Uncovering the Zn2+ Solvation Environment in Mixed Zn(TFSI)2 and LiTFSI Water-in-Salt Electrolytes,” ACS Energy Letters, vol. 6, pp. 3458–3463, 2021, doi: 10.1021/acsenergylett.1c01624.
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2021 | Journal Article | LibreCat-ID: 25183
N. R. Geise, R. M. Kasse, J. Nelson Weker, H.-G. Steinrück, and M. F. Toney, “Quantification of Efficiency in Lithium Metal Negative Electrodes via Operando X-ray Diffraction,” Chemistry of Materials, vol. 33, pp. 7537–7545, 2021, doi: 10.1021/acs.chemmater.1c02585.
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2021 | Journal Article | LibreCat-ID: 25184
C. Cao et al., “Toward Unraveling the Origin of Lithium Fluoride in the Solid Electrolyte Interphase,” Chemistry of Materials, vol. 33, pp. 7315–7336, 2021, doi: 10.1021/acs.chemmater.1c01744.
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2021 | Journal Article | LibreCat-ID: 25272
K. Engelkemeier, A. Sun, D. Voswinkel, O. Grydin, M. Schaper, and W. Bremser, “Zinc Anodizing: Structural Diversity of Anodic Zinc Oxide Controlled by the Type of Electrolyte,” ChemElectroChem, pp. 2155–2168, 2021, doi: 10.1002/celc.202100216.
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2021 | Journal Article | LibreCat-ID: 28198
H.-G. Steinrück, “General relationship between salt concentration and x-ray absorption for binary electrolytes,” AIP Advances, vol. 11, no. 11, p. 115119, 2021, doi: 10.1063/5.0072947.
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