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1483 Publications
2022 | Journal Article | LibreCat-ID: 30103
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.
LibreCat
| DOI
J. Huang, A.G. Orive, J.T. Krüger, K.-P. Hoyer, A. Keller, G. Grundmeier, Corrosion Science 200 (2022) 110186.
2022 | Journal Article | LibreCat-ID: 34654
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.
LibreCat
| DOI
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.
2022 | Conference Abstract | LibreCat-ID: 44376
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
G. Tonbul, J. Kappler, S. Murugan, R. Schoch, M. Nowakowski, P. Lange, M. Bauer, M.R. Buchmeiser, in: Edinburgh, 2022.
2022 | Journal Article | LibreCat-ID: 45007
Raman Optical Activity of N-Acetyl-L-Cysteine in Water and in Methanol: The “Clusters-in-a-Liquid” Model and ab initio Molecular Dynamics Simulations
Y. Yang, J. Cheramy, M. Brehm, Y. Xu, ChemPhysChem 23 (11) (2022) e202200161.
LibreCat
| DOI
Y. Yang, J. Cheramy, M. Brehm, Y. Xu, ChemPhysChem 23 (11) (2022) e202200161.
2022 | Journal Article | LibreCat-ID: 45010
Transferable Deep Learning Potential Reveals Intermediate-Range Ordering Effects in LiF–NaF–ZrF4 Molten Salt
R. Chahal, S. Roy, M. Brehm, S. Banerjee, V. Bryantsev, S. Lam, JACS Au 2 (12) (2022) 2693–2702.
LibreCat
| DOI
R. Chahal, S. Roy, M. Brehm, S. Banerjee, V. Bryantsev, S. Lam, JACS Au 2 (12) (2022) 2693–2702.
2022 | Journal Article | LibreCat-ID: 45008
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.
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| DOI
S. Taherivardanjani, J. Blasius, M. Brehm, R. Dötzer, B. Kirchner, J. Phys. Chem. A 126 (40) (2022) 7070–7083.
2022 | Journal Article | LibreCat-ID: 45009
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.
LibreCat
| DOI
T. Frömbgen, J. Blasius, V. Alizadeh, A. Chaumont, M. Brehm, B. Kirchner, J. Chem. Inf. Model. 62 (22) (2022) 5634–5644.
2022 | Journal Article | LibreCat-ID: 33834
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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| DOI
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.
2022 | Preprint | LibreCat-ID: 32404
CP2K on the road to exascale
T. Kühne, C. Plessl, R. Schade, O. Schütt, ArXiv:2205.14741 (2022).
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| arXiv
T. Kühne, C. Plessl, R. Schade, O. Schütt, ArXiv:2205.14741 (2022).
2022 | Journal Article | LibreCat-ID: 33684 | 
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).
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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).
2022 | Journal Article | LibreCat-ID: 46479
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
| DOI
K. Bobzin, C. Kalscheuer, G. Grundmeier, S. Kollmann, M. Carlet, M.T. de los Arcos de Pedro, Surface and Coatings Technology 449 (2022).
2022 | Conference Paper | LibreCat-ID: 33559
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
J. Elsner, C. Tenberge, S. Fechner, in: S. Habig, H. van Vorst (Eds.), Unsicherheit als Element von naturwissenschaftsbezogenen Bildungsprozessen, 2022, pp. 500–503.
2022 | Journal Article | LibreCat-ID: 40987
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
| DOI
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).
2022 | Journal Article | LibreCat-ID: 59617 |
Hydrogel-Based Biosensors
K. Völlmecke, R. Afroz, S. Bierbach, L.J. Brenker, S. Frücht, A. Glass, R. Giebelhaus, A. Hoppe, K. Kanemaru, M. Lazarek, L. Rabbe, L. Song, A. Velasco Suarez, S. Wu, M. Serpe, D. Kuckling, Gels 8 (2022).
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K. Völlmecke, R. Afroz, S. Bierbach, L.J. Brenker, S. Frücht, A. Glass, R. Giebelhaus, A. Hoppe, K. Kanemaru, M. Lazarek, L. Rabbe, L. Song, A. Velasco Suarez, S. Wu, M. Serpe, D. Kuckling, Gels 8 (2022).
2022 | Journal Article | LibreCat-ID: 59619 |
Frustrated Lewis Pair‐Catalyzed Hydroboration of Nitriles: FLP Versus Borenium Catalysis
B. Sieland, A. Hoppe, A.J. Stepen, J. Paradies, Advanced Synthesis & Catalysis 364 (2022) 3143–3148.
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B. Sieland, A. Hoppe, A.J. Stepen, J. Paradies, Advanced Synthesis & Catalysis 364 (2022) 3143–3148.
2022 | Journal Article | LibreCat-ID: 29790 |
Stimulation and Enhancement of Near‐Band‐Edge Emission in Zinc Oxide by Distributed Bragg Reflectors
L. Kothe, M. Albert, C. Meier, T. Wagner, M. Tiemann, Advanced Materials Interfaces 9 (2022).
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L. Kothe, M. Albert, C. Meier, T. Wagner, M. Tiemann, Advanced Materials Interfaces 9 (2022).
2022 | Journal Article | LibreCat-ID: 58571
Tuning of antifouling active PDMS domains tethered to epoxy/amine surface
D. Dogan, S. Ruthmann, O. Seewald, W. Bremser, Progress in Organic Coatings 170 (2022).
LibreCat
| DOI
D. Dogan, S. Ruthmann, O. Seewald, W. Bremser, Progress in Organic Coatings 170 (2022).
2022 | Journal Article | LibreCat-ID: 33687
“Red Carbon”: A Rediscovered Covalent Crystalline Semiconductor
M. Odziomek, P. Giusto, J. Kossmann, N.V. Tarakina, J.J. Heske, S.M. Rivadeneira, W. Keil, C. Schmidt, S. Mazzanti, O. Savateev, L. Perdigón‐Toro, D. Neher, T. Kühne, M. Antonietti, N. López‐Salas, Advanced Materials 34 (2022).
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| DOI
M. Odziomek, P. Giusto, J. Kossmann, N.V. Tarakina, J.J. Heske, S.M. Rivadeneira, W. Keil, C. Schmidt, S. Mazzanti, O. Savateev, L. Perdigón‐Toro, D. Neher, T. Kühne, M. Antonietti, N. López‐Salas, Advanced Materials 34 (2022).
2022 | Journal Article | LibreCat-ID: 37942
Trendbericht Organische Chemie 2022
J.N. Andexer, U. Beifuss, M. Brasholz, R. Breinbauer, M. Breugst, O. Dumele, M. Ernst, R. Ganardi, M. Giese, T.A.M. Gulder, W. Hüttel, S. Kath‐Schorr, K. Körber, M. Kordes, T. Lindel, C. Mück‐Lichtenfeld, J. Niemeyer, R. Pfau, F. Pfrengle, J. Pietruszka, J.L. Röckl, N. Schaschke, H. Sebode, M.O. Senge, B.F. Straub, J. Teichert, S.R. Waldvogel, T. Werner, C. Winter, Nachrichten Aus Der Chemie 70 (2022) 42–69.
LibreCat
| DOI
J.N. Andexer, U. Beifuss, M. Brasholz, R. Breinbauer, M. Breugst, O. Dumele, M. Ernst, R. Ganardi, M. Giese, T.A.M. Gulder, W. Hüttel, S. Kath‐Schorr, K. Körber, M. Kordes, T. Lindel, C. Mück‐Lichtenfeld, J. Niemeyer, R. Pfau, F. Pfrengle, J. Pietruszka, J.L. Röckl, N. Schaschke, H. Sebode, M.O. Senge, B.F. Straub, J. Teichert, S.R. Waldvogel, T. Werner, C. Winter, Nachrichten Aus Der Chemie 70 (2022) 42–69.
2022 | Journal Article | LibreCat-ID: 37938
Synthesis of Cyclic Carbonates Catalyzed by CaI2–Et3N and Studies on Their Biocatalytic Kinetic Resolution
C. Terazzi, K. Laatz, J. von Langermann, T. Werner, ACS Sustainable Chemistry and Engineering 10 (2022) 13335–13342.
LibreCat
| DOI
C. Terazzi, K. Laatz, J. von Langermann, T. Werner, ACS Sustainable Chemistry and Engineering 10 (2022) 13335–13342.