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1254 Publications
2020 | Journal Article | LibreCat-ID: 24100
Engelkemeier, K., Lindner, J., Bürger, J., Vaupel, K., Hartmann, M., Tiemann, M., Hoyer, K.-P., & Schaper, M. (2020). Nano-architectural complexity of zinc oxide nanowall hollow microspheres and their structural properties. Nanotechnology, 31, 095701. https://doi.org/10.1088/1361-6528/ab55bc
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2020 | Journal Article | LibreCat-ID: 16277 | 
Kühne, T., Iannuzzi, M., Ben, M. D., Rybkin, V. V., Seewald, P., Stein, F., Laino, T., Khaliullin, R. Z., Schütt, O., Schiffmann, F., Golze, D., Wilhelm, J., Chulkov, S., Mohammad Hossein Bani-Hashemian, M. H. B.-H., Weber, V., Borstnik, U., Taillefumier, M., Jakobovits, A. S., Lazzaro, A., … Hutter, J. (2020). CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations. The Journal of Chemical Physics, 152(19), Article 194103. https://doi.org/10.1063/5.0007045
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| arXiv
2020 | Conference Paper | LibreCat-ID: 16898
Lass, M., Schade, R., Kühne, T., & Plessl, C. (2020). A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K. Proc. International Conference for High Performance Computing, Networking, Storage and Analysis (SC), 1127–1140. https://doi.org/10.1109/SC41405.2020.00084
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| arXiv
2020 | Preprint | LibreCat-ID: 40994
Bauer, M., Steube, J., Päpcke, A., Bokareva, O., Reuter, T., Demeshko, S., Schoch, R., Hohloch, S., Meyer, F., Heinze, K., Kühn, O., & Lochbrunner, S. (2020). Janus-type dual emission of a Cyclometalated Iron(III) complex. Research Square Platform LLC.
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2020 | Journal Article | LibreCat-ID: 12878 |
Rengaraj, V., Lass, M., Plessl, C., & Kühne, T. (2020). Accurate Sampling with Noisy Forces from Approximate Computing. Computation, 8(2), Article 39. https://doi.org/10.3390/computation8020039
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| arXiv
2020 | Journal Article | LibreCat-ID: 41022
Kirchhof, M., Gugeler, K., Fischer, F. R., Nowakowski, M., Bauer, A., Alvarez-Barcia, S., Abitaev, K., Schnierle, M., Qawasmi, Y., Frey, W., Baro, A., Estes, D. P., Sottmann, T., Ringenberg, M. R., Plietker, B., Bauer, M., Kästner, J., & Laschat, S. (2020). Experimental and Theoretical Study on the Role of Monomeric vs Dimeric Rhodium Oxazolidinone Norbornadiene Complexes in Catalytic Asymmetric 1,2- and 1,4-Additions. Organometallics, 39(17), 3131–3145. https://doi.org/10.1021/acs.organomet.0c00310
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2020 | Journal Article | LibreCat-ID: 41015
Benedikter, M., Musso, J., Kesharwani, M. K., Sterz, K. L., Elser, I., Ziegler, F., Fischer, F., Plietker, B., Frey, W., Kästner, J., Winkler, M., van Slageren, J., Nowakowski, M., Bauer, M., & Buchmeiser, M. R. (2020). Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach. ACS Catalysis, 10(24), 14810–14823. https://doi.org/10.1021/acscatal.0c03978
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2020 | Journal Article | LibreCat-ID: 41020
Gregori, B. J., Nowakowski, M., Schoch, A., Pöllath, S., Zweck, J., Bauer, M., & Jacobi von Wangelin, A. (2020). Stereoselective Chromium‐Catalyzed Semi‐Hydrogenation of Alkynes. ChemCatChem, 12(21), 5359–5363. https://doi.org/10.1002/cctc.202000994
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2020 | Journal Article | LibreCat-ID: 16311
Burkhardt, L., Vukadinovic, Y., Nowakowski, M., Kalinko, A., Rudolph, J., Carlsson, P.-A., Jacob, C. R., & Bauer, M. (2020). Electronic Structure of the Hieber Anion [Fe(CO)3(NO)]− Revisited by X-ray Emission and Absorption Spectroscopy. Inorganic Chemistry, 3551–3561. https://doi.org/10.1021/acs.inorgchem.9b02092
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2019 | Journal Article | LibreCat-ID: 25303
Xue, H., Zhang, H., Fricke, S., Lüther, M., Yang, Z., Meng, A., Bremser, W., & Li, Z. (2019). Scalable and energy-efficient synthesis of CoxP for overall water splitting in alkaline media by high energy ball milling. Sustainable Energy & Fuels, 1723–1729. https://doi.org/10.1039/c9se00607a
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2019 | Journal Article | LibreCat-ID: 21364
Grauke, R., Schepper, R., Rabeah, J., Schoch, R., Bentrup, U., Bauer, M., & Brückner, A. (2019). Impact of Al Activators on Structure and Catalytic Performance of Cr Catalysts in Homogeneous Ethylene Oligomerization – A Multitechnique in situ/operando Study. ChemCatChem, 1025–1035. https://doi.org/10.1002/cctc.201901441
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2019 | Journal Article | LibreCat-ID: 23619
Beal, R. E., Hagström, N. Z., Barrier, J., Gold-Parker, A., Prasanna, R., Bush, K. A., Passarello, D., Schelhas, L. T., Brüning, K., Tassone, C. J., Steinrück, H.-G., McGehee, M. D., Toney, M. F., & Nogueira, A. F. (2019). Structural Origins of Light-Induced Phase Segregation in Organic-Inorganic Halide Perovskite Photovoltaic Materials. Matter, 2, 207–219. https://doi.org/10.1016/j.matt.2019.11.001
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2019 | Journal Article | LibreCat-ID: 23620
Cao, C., Shyam, B., Wang, J., Toney, M. F., & Steinrück, H.-G. (2019). Shedding X-ray Light on the Interfacial Electrochemistry of Silicon Anodes for Li-Ion Batteries. Accounts of Chemical Research, 52, 2673–2683. https://doi.org/10.1021/acs.accounts.9b00233
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2019 | Journal Article | LibreCat-ID: 23621
Huang, T.-Y., Larrain, F. A., Borca, C. H., Fuentes-Hernandez, C., Yan, H., Schneider, S. A., Chou, W.-F., Rodriguez-Toro, V. A., Steinrück, H.-G., Cao, C., Sherrill, C. D., Kippelen, B., & Toney, M. F. (2019). Morphology of Organic Semiconductors Electrically Doped from Solution Using Phosphomolybdic Acid. Chemistry of Materials, 31, 6677–6683. https://doi.org/10.1021/acs.chemmater.9b01069
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2019 | Journal Article | LibreCat-ID: 23622
Cao, C., Abate, I. I., Sivonxay, E., Shyam, B., Jia, C., Moritz, B., Devereaux, T. P., Persson, K. A., Steinrück, H.-G., & Toney, M. F. (2019). Solid Electrolyte Interphase on Native Oxide-Terminated Silicon Anodes for Li-Ion Batteries. Joule, 3, 762–781. https://doi.org/10.1016/j.joule.2018.12.013
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2019 | Conference Paper | LibreCat-ID: 23762
Schmitz, L., & Fechner, S. (2019). Generierung von Schülerfragen in lebenweltlichen Kontexten. In C. Maurer (Ed.), Naturwissenschaftliche Bildung als Grundlage für berufliche und gesellschaftliche Teilhabe (pp. 225–228). Universität Regensburg: Gesellschaft für Didaktik der Chemie und Physik, Jahrestagung Kiel 2018.
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2019 | Conference Paper | LibreCat-ID: 23763
Akman, P., & Fechner, S. (2019). Die Wahrnehmung des Abstraktionsgrades von multiplen Repräsentationen. In C. Maurer (Ed.), Naturwissenschaftliche Bildung als Grundlage für berufliche und gesellschaftliche Teilhabe. Gesellschaft für Didaktik der Chemie und Physik, Jahrestagung in Kiel 2018 (pp. 811–814). Universität Regensburg.
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2019 | Conference Paper | LibreCat-ID: 23764
Kehne, F., & Fechner, S. (2019). Enkodierung chemischer Konzepte aus lebenweltlichen Kontexten. In C. Maurer (Ed.), Naturwissenschaftliche Bildung als Grundlage für berufliche und gesellschaftliche Teilhabe. Gesellschaft für Didaktik der Chemie und Physik, Jahrestagung in Kiel 2018 (pp. 755–758). Universität Regensburg.
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2019 | Journal Article | LibreCat-ID: 22652
Hämisch, B., Büngeler, A., Kielar, C., Keller, A., Strube, O., & Huber, K. (2019). Self-Assembly of Fibrinogen in Aqueous, Thrombin-Free Solutions of Variable Ionic Strengths. Langmuir, 35, 12113–12122. https://doi.org/10.1021/acs.langmuir.9b01515
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2019 | Journal Article | LibreCat-ID: 22653
Ramakrishnan, S., Schärfen, L., Hunold, K., Fricke, S., Grundmeier, G., Schlierf, M., … Krainer, G. (2019). Enhancing the stability of DNA origami nanostructures: staple strand redesign versus enzymatic ligation. Nanoscale, 11, 16270–16276. https://doi.org/10.1039/c9nr04460d
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