Influence of proteins on the corrosion of a conventional and selective laser beam melted FeMn alloy in physiological electrolytes
J. Huang, A.G. Orive, J.T. Krüger, K.-P. Hoyer, A. Keller, G. Grundmeier, Corrosion Science 200 (2022) 110186.
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Microstructure and corrosion properties of PBF-LB produced carbide nanoparticles additivated AlSi10Mg parts
I.M. Kusoglu, P. Vieth, S. Heiland, F. Huber, A. Lüddecke, A.R. Ziefuss, A. Kwade, M. Schmidt, M. Schaper, S. Barcikowski, G. Grundmeier, Procedia CIRP 111 (2022) 10–13.
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Development of Battery System Based on Na-S and Characterization Using X-ray Absorption Spectroscopy
G. Tonbul, J. Kappler, S. Murugan, R. Schoch, M. Nowakowski, P. Lange, M. Bauer, M.R. Buchmeiser, in: Edinburgh, 2022.
LibreCat: /record/44376

Raman Optical Activity of N-Acetyl-L-Cysteine in Water and in Methanol: The cClusters-in-a-Liquidd Model and ab initio Molecular Dynamics Simulations
Y. Yang, J. Cheramy, M. Brehm, Y. Xu, ChemPhysChem 23 (11) (2022) e202200161.
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Transferable Deep Learning Potential Reveals Intermediate-Range Ordering Effects in LiF–NaF–Zr Molten Salt
R. Chahal, S. Roy, M. Brehm, S. Banerjee, V. Bryantsev, S. Lam, JACS Au 2 (12) (2022) 2693–2702.
LibreCat: /record/45010
DOI: 10.1021/jacsau.2c00526

Conformer Weighting and Differently Sized Cluster Weighting for Nicotine and its Phosphorus Derivatives
S. Taherivardanjani, J. Blasius, M. Brehm, R. Dötzer, B. Kirchner, J. Phys. Chem. A 126 (40) (2022) 7070–7083.
LibreCat: /record/45008
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Cluster Analysis in Liquids: A Novel Tool in TRAVIS
T. Frömbgen, J. Blasius, V. Alizadeh, A. Chaumont, M. Brehm, B. Kirchner, J. Chem. Inf. Model. 62 (22) (2022) 5634–5644.
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A mechanistic study of the dopant-induced breakdown in halide perovskites using solid state energy storage devices
A.G.M. Mathieson, W.M. Dose, H.-G. Steinrück, C.J. Takacs, S. Feldmann, R. Pandya, A.J. Merryweather, D. Mackanic, A. Rao, F. Deschler, M. De Volder, Energy &; Environmental Science 15 (2022) 4323–4337.
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CK on the road to exascale
T. Kühne, C. Plessl, R. Schade, O. Schütt, ArXiv:2205.14741 (2022).
LibreCat: /record/32404
arXiv: 2205.14741

Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms
R. Schade, T. Kenter, H. Elgabarty, M. Lass, O. Schütt, A. Lazzaro, H. Pabst, S. Mohr, J. Hutter, T. Kühne, C. Plessl, Parallel Computing 111 (2022).
LibreCat: /record/33684
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Oxidation stability of chromium aluminum oxynitride hard coatings
K. Bobzin, C. Kalscheuer, G. Grundmeier, S. Kollmann, M. Carlet, M.T. de los Arcos de Pedro, Surface and Coatings Technology 449 (2022).
LibreCat: /record/46479
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Modeling-based learning about chemical phenomena in primary education
J. Elsner, C. Tenberge, S. Fechner, in: G.S. Carvalho, A.S. Afonso, Z. Anastácio (Eds.), Fostering Scientific Citizenship in an Uncertain World (Proceedings of ESERA 2021), CIEC, University of Minho, Braga, n.d., pp. 1241–1249.
LibreCat: /record/35830

Analogien zur Förderung schülerseitigen Modellierens im Sachunterricht
J. Elsner, C. Tenberge, S. Fechner, in: S. Habig, H. van Vorst (Eds.), Unsicherheit als Element von naturwissenschaftsbezogenen Bildungsprozessen, 2022, pp. 500–503.
LibreCat: /record/33559

Quality or Quantity? How Structural Parameters Affect Catalytic Activity of Iron Oxides for CO Oxidation
S. Schlicher, N. Prinz, J. Bürger, A. Omlor, C. Singer, M. Zobel, R. Schoch, J.K.N. Lindner, V. Schünemann, S. Kureti, M. Bauer, Catalysts 12 (2022).
LibreCat: /record/40987
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Electrografting of BTSE: Zn films for advanced steel-aluminum joining by plastic deformation
B. Duderija, A. González-Orive, H.C. Schmidt, J.C. Calderón, I. Hordych, H.J. Maier, W. Homberg, G. Grundmeier, Journal of Advanced Joining Processes 7 (2022).
LibreCat: /record/43021
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Untersuchung von Klebverbindungen für Batteriegehäuse
T. Schmolke, G. Meschut, F. Rieker, D. Meinderink, G. Grundmeier, adhäsion KLEBEN &; DICHTEN  66 (2022) 40–43.
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High resolution off resonant spectroscopy as a probe of the oxidation state
M. Nowakowski, A. Kalinko, J. Szlachetko, R. Fanselow, M. Bauer, Journal of Analytical Atomic Spectrometry 37 (2022) 2383–2391.
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Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation
S. Weber, R.T. Zimmermann, J. Bremer, K.L. Abel, D. Poppitz, N. Prinz, J. Ilsemann, S. Wendholt, Q. Yang, R. Pashminehazar, F. Monaco, P. Cloetens, X. Huang, C. Kübel, E. Kondratenko, M. Bauer, M. Bäumer, M. Zobel, R. Gläser, K. Sundmacher, T.L. Sheppard, ChemCatChem 14 (2022).
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Stimulation and Enhancement of NearBandEdge Emission in Zinc Oxide by Distributed Bragg Reflectors
L. Kothe, M. Albert, C. Meier, T. Wagner, M. Tiemann, Advanced Materials Interfaces (2022).
LibreCat: /record/29790
DOI: 10.1002/admi.202102357

Laborpraktika auf Distanz. Ansätze in den Naturwissenschaften
A. Bauer, M. Sacher, S. Habig, S. Fechner, in: I. Neiske, J. Osthushenrich, N. Schaper, U. Trier, N. Vöing (Eds.), Hochschule auf Abstand. Ein multiperspektivischer Zugang zur digitalen Lehre,  transcript Verlag, Bielefeld, 2021, pp. 155–168.
LibreCat: /record/24935