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1494 Publications
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: 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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2020 | Patent | LibreCat-ID: 62147
T. Werner, V. Stefanow, A. Grandane, J. Panten, and M. Eh, “Novel processes for preparing cis-cedrandiol.” 2020.
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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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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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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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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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2020 | Journal Article | LibreCat-ID: 37953
Y. Hu et al., “Plasma‐Assisted Immobilization of a Phosphonium Salt and Its Use as a Catalyst in the Valorization of CO 2,” ChemSusChem, vol. 13, no. 7, pp. 1825–1833, 2020, doi: 10.1002/cssc.201903384.
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2020 | Journal Article | LibreCat-ID: 37952
A. Grandane, A. Nocentini, T. Werner, R. Zalubovskis, and C. T. Supuran, “Benzoxepinones: A new isoform-selective class of tumor associated carbonic anhydrase inhibitors,” Bioorganic and Medicinal Chemistry, vol. 28, no. 11, Art. no. 115496, 2020, doi: 10.1016/j.bmc.2020.115496.
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2020 | Journal Article | LibreCat-ID: 62237
P. Vieth et al., “Surface inoculation of aluminium powders for additive manufacturing of Al-7075 alloys,” Procedia CIRP, vol. 94, pp. 17–20, 2020, doi: 10.1016/j.procir.2020.09.004.
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2020 | Dissertation | LibreCat-ID: 62823 |
P. Akman, Konkret oder abstrakt? Externe Repräsentationen bei der Informationsentnahme und im Modellierprozess aus Lernerperspektive. 2020.
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2020 | Journal Article | LibreCat-ID: 23747
T. Witte, S. Hanemann, H. Sommerfeld, K. Temmen, and S. Fechner, “Selbstbau eines digitalen Low-Cost-Fotometers für den Chemieunterricht,” CHEMKON, vol. 27, no. 4, pp. 193–198, 2020, doi: 10.1002/ckon.201900026.
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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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2020 | Journal Article | LibreCat-ID: 64896
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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2019 | Journal Article | LibreCat-ID: 25303
H. Xue et al., “Scalable and energy-efficient synthesis of CoxP for overall water splitting in alkaline media by high energy ball milling,” Sustainable Energy & Fuels, pp. 1723–1729, 2019, doi: 10.1039/c9se00607a.
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2019 | Journal Article | LibreCat-ID: 23619
R. E. Beal et al., “Structural Origins of Light-Induced Phase Segregation in Organic-Inorganic Halide Perovskite Photovoltaic Materials,” Matter, vol. 2, pp. 207–219, 2019, doi: 10.1016/j.matt.2019.11.001.
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