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1497 Publications


2020 | Journal Article | LibreCat-ID: 44999
Weiß, M., and Martin Brehm. “Exploring Free Energy Profiles of Enantioselective Organocatalytic Aldol Reactions under Full Solvent Influence.” Molecules, vol. 25 (24), 2020, p. 5861, doi:10.3390/molecules25245861.
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2020 | Journal Article | LibreCat-ID: 44996
Brehm, Martin, et al. “TRAVIS – A Free Analyzer for Trajectories from Molecular Simulation.” J. Chem. Phys., vol. 152 (16), 2020, p. 164105, doi:10.1063/5.0005078.
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2020 | Journal Article | LibreCat-ID: 24100
Engelkemeier, Katja, et al. “Nano-Architectural Complexity of Zinc Oxide Nanowall Hollow Microspheres and Their Structural Properties.” Nanotechnology, vol. 31, 2020, p. 095701, doi:10.1088/1361-6528/ab55bc.
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2020 | Journal Article | LibreCat-ID: 16277 | OA
Kühne, Thomas, 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, 194103, 2020, doi:10.1063/5.0007045.
LibreCat | Files available | DOI | Download (ext.) | arXiv
 

2020 | Conference Paper | LibreCat-ID: 16898
Lass, Michael, et al. “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), IEEE Computer Society, 2020, pp. 1127–40, doi:10.1109/SC41405.2020.00084.
LibreCat | DOI | Download (ext.) | arXiv
 

2020 | Preprint | LibreCat-ID: 40994
Bauer, Matthias, et al. Janus-Type Dual Emission of a Cyclometalated Iron(III) Complex. Research Square Platform LLC, 2020.
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2020 | Journal Article | LibreCat-ID: 12878 | OA
Rengaraj, Varadarajan, et al. “Accurate Sampling with Noisy Forces from Approximate Computing.” Computation, vol. 8, no. 2, 39, MDPI, 2020, doi:10.3390/computation8020039.
LibreCat | DOI | Download (ext.) | arXiv
 

2020 | Journal Article | LibreCat-ID: 62101
Longwitz, Lars, and Thomas Werner. “Reduction of Activated Alkenes by PIII/PV Redox Cycling Catalysis.” Angewandte Chemie, vol. 132, no. 7, Wiley, 2020, pp. 2782–85, doi:10.1002/ange.201912991.
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2020 | Patent | LibreCat-ID: 62147
Werner, Thomas, et al. Novel Processes for Preparing Cis-Cedrandiol. 2020.
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2020 | Journal Article | LibreCat-ID: 37956
Andexer, Jennifer N., et al. “Organische Chemie.” Nachrichten Aus Der Chemie, vol. 68, no. 3, Wiley, 2020, pp. 42–72, doi:10.1002/nadc.20204095515.
LibreCat | DOI
 

2020 | Journal Article | LibreCat-ID: 62102
Longwitz, Lars, and Thomas Werner. “Reduction of Activated Alkenes by PIII/PV Redox Cycling Catalysis.” Angewandte Chemie International Edition, vol. 59, no. 7, Wiley, 2020, pp. 2760–63, doi:10.1002/anie.201912991.
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2020 | Journal Article | LibreCat-ID: 37951
Liu, Xin, et al. “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, American Chemical Society (ACS), 2020, pp. 13659–67, doi:10.1021/acscatal.0c03294.
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2020 | Journal Article | LibreCat-ID: 37955
Wulf, Christoph, et al. “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, American Chemical Society (ACS), 2020, pp. 1651–58, doi:10.1021/acssuschemeng.9b06662.
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2020 | Journal Article | LibreCat-ID: 37953
Hu, Yuya, 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, Wiley, 2020, pp. 1825–33, doi:10.1002/cssc.201903384.
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2020 | Journal Article | LibreCat-ID: 37952
Grandane, Aiga, et al. “Benzoxepinones: A New Isoform-Selective Class of Tumor Associated Carbonic Anhydrase Inhibitors.” Bioorganic and Medicinal Chemistry, vol. 28, no. 11, 115496, Elsevier BV, 2020, doi:10.1016/j.bmc.2020.115496.
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2020 | Journal Article | LibreCat-ID: 62237
Vieth, P., et al. “Surface Inoculation of Aluminium Powders for Additive Manufacturing of Al-7075 Alloys.” Procedia CIRP, vol. 94, Elsevier BV, 2020, pp. 17–20, doi:10.1016/j.procir.2020.09.004.
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2020 | Dissertation | LibreCat-ID: 62823 | OA
Akman, Perihan. Konkret Oder Abstrakt? Externe Repräsentationen Bei Der Informationsentnahme Und Im Modellierprozess Aus Lernerperspektive. 2020.
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2020 | Journal Article | LibreCat-ID: 23747
Witte, Thomas, et al. “Selbstbau eines digitalen Low-Cost-Fotometers für den Chemieunterricht.” CHEMKON, vol. 27, no. 4, 2020, pp. 193–98, doi:10.1002/ckon.201900026.
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2020 | Journal Article | LibreCat-ID: 41025
Prinz, Nils, et al. “Hard X-Ray-Based Techniques for Structural Investigations of CO2 Methanation Catalysts Prepared by MOF Decomposition.” Nanoscale, vol. 12, no. 29, Royal Society of Chemistry (RSC), 2020, pp. 15800–13, doi:10.1039/d0nr01750g.
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2020 | Journal Article | LibreCat-ID: 64896
Andexer, Jennifer N., et al. “Organische Chemie.” Nachrichten Aus Der Chemie, vol. 68, no. 3, Wiley, 2020, pp. 42–72, doi:10.1002/nadc.20204095515.
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