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1259 Publications
2022 | Journal Article | LibreCat-ID: 45008
Taherivardanjani S, Blasius J, Brehm M, Dötzer R, Kirchner B. Conformer Weighting and Differently Sized Cluster Weighting for Nicotine and its Phosphorus Derivatives. J Phys Chem A. 2022;126 (40):7070-7083. doi:10.1021/acs.jpca.2c03133
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2022 | Journal Article | LibreCat-ID: 45009
Frömbgen T, Blasius J, Alizadeh V, Chaumont A, Brehm M, Kirchner B. Cluster Analysis in Liquids: A Novel Tool in TRAVIS. J Chem Inf Model. 2022;62 (22):5634-5644. doi:10.1021/acs.jcim.2c01244
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2022 | Journal Article | LibreCat-ID: 33834
Mathieson AGM, Dose WM, Steinrück H-G, et al. A mechanistic study of the dopant-induced breakdown in halide perovskites using solid state energy storage devices. Energy & Environmental Science. 2022;15(10):4323-4337. doi:10.1039/d2ee01754g
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2022 | Preprint | LibreCat-ID: 32404
Kühne T, Plessl C, Schade R, Schütt O. CP2K on the road to exascale. arXiv:220514741. Published online 2022.
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2022 | Journal Article | LibreCat-ID: 33684 | 
Schade R, Kenter T, Elgabarty H, et al. Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms. Parallel Computing. 2022;111. doi:10.1016/j.parco.2022.102920
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2022 | Journal Article | LibreCat-ID: 46479
Bobzin K, Kalscheuer C, Grundmeier G, Kollmann S, Carlet M, de los Arcos de Pedro MT. Oxidation stability of chromium aluminum oxynitride hard coatings. Surface and Coatings Technology. 2022;449. doi:10.1016/j.surfcoat.2022.128927
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2022 | Conference Paper | LibreCat-ID: 35830
Elsner J, Tenberge C, Fechner S. Modeling-based learning about chemical phenomena in primary education. In: Carvalho GS, Afonso AS, Anastácio Z, eds. Fostering Scientific Citizenship in an Uncertain World (Proceedings of ESERA 2021). CIEC, University of Minho; :1241-1249.
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2022 | Conference Paper | LibreCat-ID: 33559
Elsner J, Tenberge C, Fechner S. Analogien zur Förderung schülerseitigen Modellierens im Sachunterricht. In: Habig S, van Vorst H, eds. Unsicherheit als Element von naturwissenschaftsbezogenen Bildungsprozessen. Vol 42. ; 2022:500-503.
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2022 | Journal Article | LibreCat-ID: 40987
Schlicher S, Prinz N, Bürger J, et al. Quality or Quantity? How Structural Parameters Affect Catalytic Activity of Iron Oxides for CO Oxidation. Catalysts. 2022;12(6). doi:10.3390/catal12060675
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2022 | Journal Article | LibreCat-ID: 43021
Duderija B, González-Orive A, Schmidt HC, et al. Electrografting of BTSE: Zn films for advanced steel-aluminum joining by plastic deformation. Journal of Advanced Joining Processes. 2022;7. doi:10.1016/j.jajp.2022.100137
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2022 | Journal Article | LibreCat-ID: 32283
Schmolke T, Meschut G, Rieker F, Meinderink D, Grundmeier G. Untersuchung von Klebverbindungen für Batteriegehäuse. adhäsion KLEBEN & DICHTEN . 2022;66:40-43. doi:https://doi.org/10.1007/s35145-022-0596-9
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2022 | Journal Article | LibreCat-ID: 40986
Nowakowski M, Kalinko A, Szlachetko J, Fanselow R, Bauer M. High resolution off resonant spectroscopy as a probe of the oxidation state. Journal of Analytical Atomic Spectrometry. 2022;37(11):2383-2391. doi:10.1039/d2ja00232a
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2022 | Journal Article | LibreCat-ID: 40988
Weber S, Zimmermann RT, Bremer J, et al. Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation. ChemCatChem. 2022;14(8). doi:10.1002/cctc.202101878
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2022 | Journal Article | LibreCat-ID: 29790 |
Kothe L, Albert M, Meier C, Wagner T, Tiemann M. Stimulation and Enhancement of Near‐Band‐Edge Emission in Zinc Oxide by Distributed Bragg Reflectors. Advanced Materials Interfaces. Published online 2022. doi:10.1002/admi.202102357
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2021 | Book Chapter | LibreCat-ID: 24935 |
Bauer A, Sacher M, Habig S, Fechner S. Laborpraktika auf Distanz. Ansätze in den Naturwissenschaften. In: Neiske I, Osthushenrich J, Schaper N, Trier U, Vöing N, eds. Hochschule auf Abstand. Ein multiperspektivischer Zugang zur digitalen Lehre. Vol 3. Hochschulbildung: Lehre und Forschung. transcript Verlag; 2021:155-168.
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2021 | Journal Article | LibreCat-ID: 25182
Zhang Y, Wan G, Lewis NHC, et al. Water or Anion? Uncovering the Zn2+ Solvation Environment in Mixed Zn(TFSI)2 and LiTFSI Water-in-Salt Electrolytes. ACS Energy Letters. 2021;6:3458-3463. doi:10.1021/acsenergylett.1c01624
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2021 | Journal Article | LibreCat-ID: 25183
Geise NR, Kasse RM, Nelson Weker J, Steinrück H-G, Toney MF. Quantification of Efficiency in Lithium Metal Negative Electrodes via Operando X-ray Diffraction. Chemistry of Materials. 2021;33:7537-7545. doi:10.1021/acs.chemmater.1c02585
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2021 | Journal Article | LibreCat-ID: 25184
Cao C, Pollard TP, Borodin O, et al. Toward Unraveling the Origin of Lithium Fluoride in the Solid Electrolyte Interphase. Chemistry of Materials. 2021;33:7315-7336. doi:10.1021/acs.chemmater.1c01744
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2021 | Journal Article | LibreCat-ID: 25272
Engelkemeier K, Sun A, Voswinkel D, Grydin O, Schaper M, Bremser W. Zinc Anodizing: Structural Diversity of Anodic Zinc Oxide Controlled by the Type of Electrolyte. ChemElectroChem. Published online 2021:2155-2168. doi:10.1002/celc.202100216
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2021 | Journal Article | LibreCat-ID: 28198
Steinrück H-G. General relationship between salt concentration and x-ray absorption for binary electrolytes. AIP Advances. 2021;11(11):115119. doi:10.1063/5.0072947
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