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1483 Publications
2020 | Journal Article | LibreCat-ID: 24236
V. Schöppner et al., “Selected Aspects for the Assessment of Laser Transmission Welding,” Joining Plastics, pp. 30–35, 2020.
LibreCat
2020 | Journal Article | LibreCat-ID: 44995
C. Dreßler, G. Kabbe, M. Brehm, and D. Sebastiani, “Exploring Non-Equilibrium Molecular Dynamics of Mobile Protons in the Solid Acid CsH2PO4 on the Micrometer and Microsecond Scale,” J. Chem. Phys., vol. 152 (16), p. 164110, 2020, doi: 10.1063/5.0002167.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 44997
M. Brehm, J. Radicke, M. Pulst, F. Shaabani, D. Sebastiani, and J. Kressler, “Dissolving Cellulose in 1,2,3-Triazolium- and Imidazolium-Based Ionic Liquids with Aromatic Anions,” Molecules, vol. 25 (15), p. 3539, 2020, doi: 10.3390/molecules25153539.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 44998
J. Hunold, J. Eisermann, M. Brehm, and D. Hinderberger, “Characterization of Aqueous Lower Polarity Solvation Shells Around Amphiphilic TEMPO Radicals in Water,” J. Phys. Chem. B, vol. 124 (39), pp. 8601–8609, 2020, doi: 10.1021/acs.jpcb.0c04863.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 44993
L. Scarbath-Evers, R. Hammer, D. Golze, M. Brehm, D. Sebastiani, and W. Widdra, “From Flat to Tilted: Gradual Interfaces in Organic Thin Film Growth,” Nanoscale, vol. 12, pp. 3834–3845, 2020, doi: 10.1039/C9NR06592J.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 44994
C. Dreßler, G. Kabbe, M. Brehm, and D. Sebastiani, “Dynamical Matrix Propagator Scheme for Large-Scale Proton Dynamics Simulations,” J. Chem. Phys., vol. 152 (11), p. 114114, 2020, doi: 10.1063/1.5140635.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 44999
M. Weiß and M. Brehm, “Exploring Free Energy Profiles of Enantioselective Organocatalytic Aldol Reactions under Full Solvent Influence,” Molecules, vol. 25 (24), p. 5861, 2020, doi: 10.3390/molecules25245861.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 44996
M. Brehm, M. Thomas, S. Gehrke, and B. Kirchner, “TRAVIS – A Free Analyzer for Trajectories from Molecular Simulation,” J. Chem. Phys., vol. 152 (16), p. 164105, 2020, doi: 10.1063/5.0005078.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 24100
K. Engelkemeier et al., “Nano-architectural complexity of zinc oxide nanowall hollow microspheres and their structural properties,” Nanotechnology, vol. 31, p. 095701, 2020, doi: 10.1088/1361-6528/ab55bc.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 16277 | 
T. Kühne et al., “CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations,” The Journal of Chemical Physics, vol. 152, no. 19, Art. no. 194103, 2020, doi: 10.1063/5.0007045.
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| arXiv
2020 | Conference Paper | LibreCat-ID: 16898
M. Lass, R. Schade, T. Kühne, and C. Plessl, “A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K,” in Proc. International Conference for High Performance Computing, Networking, Storage and Analysis (SC), Atlanta, GA, US, 2020, pp. 1127–1140, doi: 10.1109/SC41405.2020.00084.
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| arXiv
2020 | Preprint | LibreCat-ID: 40994
M. Bauer et al., “Janus-type dual emission of a Cyclometalated Iron(III) complex.” Research Square Platform LLC, 2020.
LibreCat
2020 | Journal Article | LibreCat-ID: 12878 |
V. Rengaraj, M. Lass, C. Plessl, and T. Kühne, “Accurate Sampling with Noisy Forces from Approximate Computing,” Computation, vol. 8, no. 2, Art. no. 39, 2020, doi: 10.3390/computation8020039.
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| arXiv
2020 | Journal Article | LibreCat-ID: 41025
N. Prinz et al., “Hard X-ray-based techniques for structural investigations of CO2 methanation catalysts prepared by MOF decomposition,” Nanoscale, vol. 12, no. 29, pp. 15800–15813, 2020, doi: 10.1039/d0nr01750g.
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| DOI
2020 | Journal Article | LibreCat-ID: 62101
L. Longwitz and T. Werner, “Reduction of Activated Alkenes by PIII/PV Redox Cycling Catalysis,” Angewandte Chemie, vol. 132, no. 7, pp. 2782–2785, 2020, doi: 10.1002/ange.201912991.
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| DOI
2020 | Patent | LibreCat-ID: 62147
T. Werner, V. Stefanow, A. Grandane, J. Panten, and M. Eh, “Novel processes for preparing cis-cedrandiol.” 2020.
LibreCat
2020 | Journal Article | LibreCat-ID: 37956
J. N. Andexer et al., “Organische Chemie,” Nachrichten aus der Chemie, vol. 68, no. 3, pp. 42–72, 2020, doi: 10.1002/nadc.20204095515.
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| DOI
2020 | Journal Article | LibreCat-ID: 62102
L. Longwitz and T. Werner, “Reduction of Activated Alkenes by PIII/PV Redox Cycling Catalysis,” Angewandte Chemie International Edition, vol. 59, no. 7, pp. 2760–2763, 2020, doi: 10.1002/anie.201912991.
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| DOI
2020 | Journal Article | LibreCat-ID: 37951
X. Liu, L. Longwitz, B. Spiegelberg, J. Tönjes, T. Beweries, and T. Werner, “Erbium-Catalyzed Regioselective Isomerization–Cobalt-Catalyzed Transfer Hydrogenation Sequence for the Synthesis of Anti-Markovnikov Alcohols from Epoxides under Mild Conditions,” ACS Catalysis, vol. 10, no. 22, pp. 13659–13667, 2020, doi: 10.1021/acscatal.0c03294.
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| DOI
2020 | Journal Article | LibreCat-ID: 37955
C. Wulf, M. Reckers, A. Perechodjuk, and T. Werner, “Catalytic Systems for the Synthesis of Biscarbonates and Their Impact on the Sequential Preparation of Non-Isocyanate Polyurethanes,” ACS Sustainable Chemistry and Engineering, vol. 8, no. 3, pp. 1651–1658, 2020, doi: 10.1021/acssuschemeng.9b06662.
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