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1483 Publications
2020 | Journal Article | LibreCat-ID: 24236
Schöppner, V., Wübbeke, A., Schriegel, F., Paul, A., Tiemann, M., Geißler, B., Schmidt, M., Magnier, A., & Niendorf, T. (2020). Selected Aspects for the Assessment of Laser Transmission Welding. Joining Plastics, 30–35.
LibreCat
2020 | Journal Article | LibreCat-ID: 44995
Dreßler, C., Kabbe, G., Brehm, M., & Sebastiani, D. (2020). Exploring Non-Equilibrium Molecular Dynamics of Mobile Protons in the Solid Acid CsH2PO4 on the Micrometer and Microsecond Scale. J. Chem. Phys., 152 (16), 164110. https://doi.org/10.1063/5.0002167
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| DOI
2020 | Journal Article | LibreCat-ID: 44997
Brehm, M., Radicke, J., Pulst, M., Shaabani, F., Sebastiani, D., & Kressler, J. (2020). Dissolving Cellulose in 1,2,3-Triazolium- and Imidazolium-Based Ionic Liquids with Aromatic Anions. Molecules, 25 (15), 3539. https://doi.org/10.3390/molecules25153539
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| DOI
2020 | Journal Article | LibreCat-ID: 44998
Hunold, J., Eisermann, J., Brehm, M., & Hinderberger, D. (2020). Characterization of Aqueous Lower Polarity Solvation Shells Around Amphiphilic TEMPO Radicals in Water. J. Phys. Chem. B, 124 (39), 8601–8609. https://doi.org/10.1021/acs.jpcb.0c04863
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| DOI
2020 | Journal Article | LibreCat-ID: 44993
Scarbath-Evers, L., Hammer, R., Golze, D., Brehm, M., Sebastiani, D., & Widdra, W. (2020). From Flat to Tilted: Gradual Interfaces in Organic Thin Film Growth. Nanoscale, 12, 3834–3845. https://doi.org/10.1039/C9NR06592J
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| DOI
2020 | Journal Article | LibreCat-ID: 44994
Dreßler, C., Kabbe, G., Brehm, M., & Sebastiani, D. (2020). Dynamical Matrix Propagator Scheme for Large-Scale Proton Dynamics Simulations. J. Chem. Phys., 152 (11), 114114. https://doi.org/10.1063/1.5140635
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| DOI
2020 | Journal Article | LibreCat-ID: 44999
Weiß, M., & Brehm, M. (2020). Exploring Free Energy Profiles of Enantioselective Organocatalytic Aldol Reactions under Full Solvent Influence. Molecules, 25 (24), 5861. https://doi.org/10.3390/molecules25245861
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| DOI
2020 | Journal Article | LibreCat-ID: 44996
Brehm, M., Thomas, M., Gehrke, S., & Kirchner, B. (2020). TRAVIS – A Free Analyzer for Trajectories from Molecular Simulation. J. Chem. Phys., 152 (16), 164105. https://doi.org/10.1063/5.0005078
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| DOI
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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| DOI
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: 41025
Prinz, N., Schwensow, L., Strübbe, S., Jentys, A., Bauer, M., Kleist, W., & Zobel, M. (2020). Hard X-ray-based techniques for structural investigations of CO2 methanation catalysts prepared by MOF decomposition. Nanoscale, 12(29), 15800–15813. https://doi.org/10.1039/d0nr01750g
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| DOI
2020 | Journal Article | LibreCat-ID: 62101
Longwitz, L., & Werner, T. (2020). Reduction of Activated Alkenes by PIII/PV Redox Cycling Catalysis. Angewandte Chemie, 132(7), 2782–2785. https://doi.org/10.1002/ange.201912991
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| DOI
2020 | Patent | LibreCat-ID: 62147
Werner, T., Stefanow, V., Grandane, A., Panten, J., & Eh, M. (2020). Novel processes for preparing cis-cedrandiol.
LibreCat
2020 | Journal Article | LibreCat-ID: 37956
Andexer, J. N., Beifuss, U., Beuerle, F., Brasholz, M., Breinbauer, R., Ernst, M., Greb, J., Gulder, T., Hüttel, W., Kath‐Schorr, S., Kordes, M., Lehmann, M., Lindel, T., Luy, B., Mück‐Lichtenfeld, C., Muhle, C., Narine, A., Niemeyer, J., Paradies, J., … Winter, C. (2020). Organische Chemie. Nachrichten Aus Der Chemie, 68(3), 42–72. https://doi.org/10.1002/nadc.20204095515
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| DOI
2020 | Journal Article | LibreCat-ID: 62102
Longwitz, L., & Werner, T. (2020). Reduction of Activated Alkenes by PIII/PV Redox Cycling Catalysis. Angewandte Chemie International Edition, 59(7), 2760–2763. https://doi.org/10.1002/anie.201912991
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| DOI
2020 | Journal Article | LibreCat-ID: 37951
Liu, X., Longwitz, L., Spiegelberg, B., Tönjes, J., Beweries, T., & Werner, T. (2020). Erbium-Catalyzed Regioselective Isomerization–Cobalt-Catalyzed Transfer Hydrogenation Sequence for the Synthesis of Anti-Markovnikov Alcohols from Epoxides under Mild Conditions. ACS Catalysis, 10(22), 13659–13667. https://doi.org/10.1021/acscatal.0c03294
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| DOI
2020 | Journal Article | LibreCat-ID: 37955
Wulf, C., Reckers, M., Perechodjuk, A., & Werner, T. (2020). Catalytic Systems for the Synthesis of Biscarbonates and Their Impact on the Sequential Preparation of Non-Isocyanate Polyurethanes. ACS Sustainable Chemistry and Engineering, 8(3), 1651–1658. https://doi.org/10.1021/acssuschemeng.9b06662
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