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184 Publications
2024 | Journal Article | LibreCat-ID: 51221
Dong, Chuan-Ding, Fabian Bauch, Yuanyuan Hu, and Stefan Schumacher. “Charge Transfer in Superbase N-Type Doping of PCBM Induced by Deprotonation.” Physical Chemistry Chemical Physics 26, no. 5 (2024): 4194–99. https://doi.org/10.1039/d3cp05105f.
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2024 | Journal Article | LibreCat-ID: 52541
Peschtrich, Sebastian, Roland Schoch, Dirk Kuckling, and Jan Paradies. “A Comparative Kinetic and Computational Investigation of the Carbon‐Sulfur Cross Coupling of Potassium Thioacetate and 2‐Bromo Thiophene Using Palladium/Bisphosphine Complexes.” European Journal of Organic Chemistry 27, no. 8 (2024). https://doi.org/10.1002/ejoc.202301207.
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2024 | Journal Article | LibreCat-ID: 52534
Bauch, Fabian, Chuan-Ding Dong, and Stefan Schumacher. “Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers.” The Journal of Physical Chemistry C 128, no. 8 (2024): 3525–32. https://doi.org/10.1021/acs.jpcc.3c07513.
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| DOI
2024 | Journal Article | LibreCat-ID: 50726
Schuster, Lilia, Viktoria Olfert, Oleksii Sherepenko, Clemens Fehrenbach, Shiyuan Song, David Hein, Gerson Meschut, Elliot Biro, and Sebastian Münstermann. “Influences of Weld Nugget Shape and Material Gradient on the Shear Strength of Resistance Spot‐Welded Joints.” Steel Research International, 2024. https://doi.org/10.1002/srin.202300530.
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2023 | Journal Article | LibreCat-ID: 33947
Castenow, Jannik, Jonas Harbig, Daniel Jung, Till Knollmann, and Friedhelm Meyer auf der Heide. “Gathering a Euclidean Closed Chain of Robots in Linear Time and Improved Algorithms for Chain-Formation.” Theoretical Computer Science 939 (2023): 261–91. https://doi.org/10.1016/j.tcs.2022.10.031.
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| arXiv
2023 | Journal Article | LibreCat-ID: 43391
Paul, Andreas, Elmar Baumhögger, Mats-Ole Dewerth, Iman Hami Dindar, Gerrit Sonnenrein, and Jadran Vrabec. “Thermal Conductivity of Solid Paraffins and Several N-Docosane Compounds with Graphite.” Journal of Thermal Analysis and Calorimetry, 2023. https://doi.org/10.1007/s10973-023-12107-2.
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2023 | Journal Article | LibreCat-ID: 44857
Silva, Helmuth O.M., Diego P. Rubert, Eloi Araujo, Eckhard Steffen, Daniel Doerr, and Fábio V. Martinez. “Algorithms for the Genome Median under a Restricted Measure of Rearrangement.” RAIRO - Operations Research 57, no. 3 (2023): 1045–58. https://doi.org/10.1051/ro/2023052.
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2023 | Journal Article | LibreCat-ID: 45828
Duderija, Belma, Alejandro González-Orive, Christoph Ebbert, Vanessa Neßlinger, Adrian Keller, and Guido Grundmeier. “Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V Alloy.” Molecules 28, no. 13 (2023): 5109. https://doi.org/10.3390/molecules28135109.
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2023 | Journal Article | LibreCat-ID: 45361 | 
Schade, Robert, Tobias Kenter, Hossam Elgabarty, Michael Lass, Thomas Kühne, and Christian Plessl. “Breaking the Exascale Barrier for the Electronic Structure Problem in Ab-Initio Molecular Dynamics.” The International Journal of High Performance Computing Applications, 2023. https://doi.org/10.1177/10943420231177631.
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2023 | Journal Article | LibreCat-ID: 46480
Müller, Hendrik, Christian Weinberger, Guido Grundmeier, and Maria Teresa de los Arcos de Pedro. “UV-Enhanced Environmental Charge Compensation in near Ambient Pressure XPS.” Journal of Electron Spectroscopy and Related Phenomena 264 (2023). https://doi.org/10.1016/j.elspec.2023.147317.
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2023 | Journal Article | LibreCat-ID: 46542
Huang, Jingyuan, Yunshu Qiu, Felix Lücke, Jiangling Su, Guido Grundmeier, and Adrian Keller. “Multiprotein Adsorption from Human Serum at Gold and Oxidized Iron Surfaces Studied by Atomic Force Microscopy and Polarization-Modulation Infrared Reflection Absorption Spectroscopy.” Molecules 28, no. 16 (2023). https://doi.org/10.3390/molecules28166060.
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2023 | Journal Article | LibreCat-ID: 46543
Pothineni, Bhanu K., Sabrina Kollmann, Xinyang Li, Guido Grundmeier, Denise J. Erb, and Adrian Keller. “Adsorption of Ferritin at Nanofaceted Al2O3 Surfaces.” International Journal of Molecular Sciences 24, no. 16 (2023). https://doi.org/10.3390/ijms241612808.
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2023 | Journal Article | LibreCat-ID: 48639
Kamer, Jerry, Domenik Schleier, Merel Donker, Patrick Hemberger, Andras Bodi, and Jordy Bouwman. “Threshold Photoelectron Spectroscopy and Dissociative Photoionization of Benzonitrile.” Physical Chemistry Chemical Physics 25, no. 42 (2023): 29070–79. https://doi.org/10.1039/d3cp03977c.
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2023 | Journal Article | LibreCat-ID: 49356
Moffitt, Stephanie L., Chuntian Cao, Maikel F. A. M. Van Hest, Laura T. Schelhas, Hans-Georg Steinrück, and Michael F. Toney. “Heterogeneous Structural Evolution of In–Zn–O Thin Films during Annealing.” The Journal of Physical Chemistry C 127, no. 47 (2023): 23099–23108. https://doi.org/10.1021/acs.jpcc.3c06410.
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2023 | Journal Article | LibreCat-ID: 48946
Gräßler, Iris, Eric Bodden, Dominik Wiechel, and Jens Pottebaum. “Defense-in-Depth als neues Paradigma der sicherheitsgerechten Produktentwicklung: interdisziplinäre, bedrohungsbewusste und lösungsorientierte Security.” Konstruktion 75, no. 11–12 (2023): 60–65. https://doi.org/10.37544/0720-5953-2023-11-12-60.
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2023 | Journal Article | LibreCat-ID: 50150
Müller, Patrick, Mergim Meta, Jan Laurenz Meidner, Marvin Schwickert, Jessica Meyr, Kevin Schwickert, Christian Kersten, et al. “Investigation of the Compatibility between Warheads and Peptidomimetic Sequences of Protease Inhibitors—A Comprehensive Reactivity and Selectivity Study.” International Journal of Molecular Sciences 24, no. 8 (2023). https://doi.org/10.3390/ijms24087226.
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2023 | Journal Article | LibreCat-ID: 46023
Duderija, Belma, Alejandro González-Orive, Christoph Ebbert, Vanessa Neßlinger, Adrian Keller, and Guido Grundmeier. “Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V Alloy.” Molecules 28, no. 13 (2023). https://doi.org/10.3390/molecules28135109.
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2023 | Journal Article | LibreCat-ID: 51357
Steffen, Eckhard, and Isaak Hieronymus Wolf. “Rotation R-Graphs.” Discrete Mathematics, 2023. https://doi.org/10.1016/j.disc.2023.113457.
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2023 | Journal Article | LibreCat-ID: 52345
Kitzmann, Winald R., David Hunger, Antti-Pekka M. Reponen, Christoph Förster, Roland Schoch, Matthias Bauer, Sascha Feldmann, Joris van Slageren, and Katja Heinze. “Electronic Structure and Excited-State Dynamics of the NIR-II Emissive Molybdenum(III) Analogue to the Molecular Ruby.” Inorganic Chemistry 62, no. 39 (2023): 15797–808. https://doi.org/10.1021/acs.inorgchem.3c02186.
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2023 | Journal Article | LibreCat-ID: 49608
Fritsch, Lorena, Yannik Vukadinovic, Moritz Lang, Robert Naumann, Maria-Sophie Bertrams, Ayla Kruse, Roland Schoch, et al. “Chemical and Photophysical Properties of Amine Functionalized Bis‐NHC‐pyridine‐RuII Complexes.” ChemPhotoChem, 2023. https://doi.org/10.1002/cptc.202300281.
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2023 | Journal Article | LibreCat-ID: 53078
Apazeller, Sascha, Munko Gonchikzhapov, Monika Nanjaiah, Tina Kasper, Irenäus Wlokas, Hartmut Wiggers, and Christof Schulz. “A New Dual Matrix Burner for One-Dimensional Investigation of Aerosol Flames.” Proceedings of the Combustion Institute 39, no. 1 (2023): 909–18. https://doi.org/10.1016/j.proci.2022.07.166.
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2023 | Journal Article | LibreCat-ID: 36812
Apazeller, Sascha, Munko Gonchikzhapov, Monika Nanjaiah, Tina Kasper, Irenäus Wlokas, Hartmut Wiggers, and Christof Schulz. “A New Dual Matrix Burner for One-Dimensional Investigation of Aerosol Flames.” Proceedings of the Combustion Institute, 2023. https://doi.org/10.1016/j.proci.2022.07.166.
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2023 | Journal Article | LibreCat-ID: 52344
Ziegler, Felix, Johanna R. Bruckner, Michał Nowakowski, Matthias Bauer, Patrick Probst, Boshra Atwi, and Michael R. Buchmeiser. “Macrocyclization of Dienes under Confinement with Cationic Tungsten Imido/Oxo Alkylidene N‐Heterocyclic Carbene Complexes.” ChemCatChem 15, no. 21 (2023). https://doi.org/10.1002/cctc.202300871.
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2023 | Journal Article | LibreCat-ID: 48167
Strübbe, Sven, Michał Nowakowski, Roland Schoch, and Matthias Bauer. “High‐Resolution X‐ray Absorption and Emission Spectroscopy for Detailed Analysis of New CO2 Methanation Catalysts.” ChemPhysChem, 2023. https://doi.org/10.1002/cphc.202300113.
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2022 | Journal Article | LibreCat-ID: 29843
Castenow, Jannik, Peter Kling, Till Knollmann, and Friedhelm Meyer auf der Heide. “A Discrete and Continuous Study of the Max-Chain-Formation Problem.” Information and Computation, 2022. https://doi.org/10.1016/j.ic.2022.104877.
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2022 | Journal Article | LibreCat-ID: 30209
Hanke, Marcel, Niklas Hansen, Ruiping Chen, Guido Grundmeier, Karim Fahmy, and Adrian Keller. “Salting-Out of DNA Origami Nanostructures by Ammonium Sulfate.” International Journal of Molecular Sciences 23, no. 5 (2022): 2817. https://doi.org/10.3390/ijms23052817.
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2022 | Journal Article | LibreCat-ID: 32589
Hanke, Marcel, Niklas Hansen, Emilia Tomm, Guido Grundmeier, and Adrian Keller. “Time-Dependent DNA Origami Denaturation by Guanidinium Chloride, Guanidinium Sulfate, and Guanidinium Thiocyanate.” International Journal of Molecular Sciences 23, no. 15 (2022): 8547. https://doi.org/10.3390/ijms23158547.
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2022 | Journal Article | LibreCat-ID: 33690
Ibaceta-Jaña, Josefa, Manjusha Chugh, Alexander S. Novikov, Hossein Mirhosseini, Thomas Kühne, Bernd Szyszka, Markus R. Wagner, and Ruslan Muydinov. “Do Lead Halide Hybrid Perovskites Have Hydrogen Bonds?” The Journal of Physical Chemistry C 126, no. 38 (2022): 16215–26. https://doi.org/10.1021/acs.jpcc.2c02984.
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2022 | Journal Article | LibreCat-ID: 36810
Knyazkov, Denis A., Andrey V. Cherepanov, Vitaly G. Kiselev, Ilya E. Gerasimov, Tina Kasper, and Andrey G. Shmakov. “Experimental and Kinetic Modeling Study of the Positive Ions in Premixed Ethylene Flames over a Range of Equivalence Ratios.” Proceedings of the Combustion Institute, 2022. https://doi.org/10.1016/j.proci.2022.07.157.
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2022 | Journal Article | LibreCat-ID: 36811
Kaczmarek, Dennis, Charlotte Rudolph, Burak Atakan, and Tina Kasper. “Kinetic Investigation of the Ozone-Assisted Partial Oxidation of Fuel-Rich Natural Gas Mixtures at Elevated Pressure.” Proceedings of the Combustion Institute, 2022. https://doi.org/10.1016/j.proci.2022.07.195.
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2022 | Journal Article | LibreCat-ID: 36813
Bierkandt, Thomas, Patrick Hemberger, Patrick Oßwald, Nina Gaiser, Martin Hoener, Dominik Krüger, Tina Kasper, and Markus Köhler. “A Combustion Chemistry Study of Tetramethylethylene in a Laminar Premixed Low-Pressure Hydrogen Flame.” Proceedings of the Combustion Institute, 2022. https://doi.org/10.1016/j.proci.2022.07.205.
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2022 | Journal Article | LibreCat-ID: 41208
Weber, Sebastian, Ronny T. Zimmermann, Jens Bremer, Ken L. Abel, David Poppitz, Nils Prinz, Jan Ilsemann, et al. “Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3Reference Catalyst for CO2Methanation.” ChemCatChem 14, no. 8 (2022). https://doi.org/10.1002/cctc.202101878.
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2022 | Journal Article | LibreCat-ID: 34700
Gharibian, Sevag, Miklos Santha, Jamie Sikora, Aarthi Sundaram, and Justin Yirka. “Quantum Generalizations of the Polynomial Hierarchy with Applications to QMA(2).” Computational Complexity 31, no. 2 (2022). https://doi.org/10.1007/s00037-022-00231-8.
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2022 | Journal Article | LibreCat-ID: 40425
Bathe, Thomas, Chuan-Ding Dong, and Stefan Schumacher. “Microscopic Study of Molecular Double Doping.” The Journal of Physical Chemistry A 126, no. 13 (2022): 2075–81. https://doi.org/10.1021/acs.jpca.1c09179.
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2022 | Journal Article | LibreCat-ID: 30678
Javed, Muhammad Ali, Sebastian Vater, Elmar Baumhögger, Thorsten Windmann, and Jadran Vrabec. “Apparatus for the Measurement of the Thermodynamic Speed of Sound of Diethylene Glycol and Triethylene Glycol.” The Journal of Chemical Thermodynamics, 2022. https://doi.org/10.1016/j.jct.2022.106766.
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2022 | Journal Article | LibreCat-ID: 33255
Betken, Benjamin, Robin Beckmüller, Muhammad Ali Javed, Elmar Baumhögger, Roland Span, Jadran Vrabec, and Monika Thol. “Thermodynamic Properties for 1-Hexene – Measurements and Modeling.” The Journal of Chemical Thermodynamics, 2022. https://doi.org/10.1016/j.jct.2022.106881.
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2022 | Journal Article | LibreCat-ID: 31543
Steffen, Eckhard, and Isaak Hieronymus Wolf. “Even Factors in Edge-Chromatic-Critical Graphs with a Small Number of Divalent Vertices.” Graphs and Combinatorics 38, no. 3 (2022). https://doi.org/10.1007/s00373-022-02506-x.
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| arXiv
2022 | Journal Article | LibreCat-ID: 45847
Kontinen, Juha, Arne Meier, and Yasir Mahmood. “A Parameterized View on the Complexity of Dependence and Independence Logic.” Journal of Logic and Computation 32, no. 8 (2022): 1624–44. https://doi.org/10.1093/logcom/exac070.
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2022 | Journal Article | LibreCat-ID: 33684 |
Schade, Robert, Tobias Kenter, Hossam Elgabarty, Michael Lass, Ole Schütt, Alfio Lazzaro, Hans Pabst, et al. “Towards Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms.” Parallel Computing 111 (2022). https://doi.org/10.1016/j.parco.2022.102920.
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| Download (ext.)
2022 | Journal Article | LibreCat-ID: 40987
Schlicher, Steffen, Nils Prinz, Julius Bürger, Andreas Omlor, Christian Singer, Mirijam Zobel, Roland Schoch, et al. “Quality or Quantity? How Structural Parameters Affect Catalytic Activity of Iron Oxides for CO Oxidation.” Catalysts 12, no. 6 (2022). https://doi.org/10.3390/catal12060675.
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2022 | Journal Article | LibreCat-ID: 44231
Schleier, Domenik, Marius Gerlach, Dorothee Schaffner, Deb Pratim Mukhopadhyay, Patrick Hemberger, and Ingo Fischer. “Threshold Photoelectron Spectroscopy of Trimethylborane and Its Pyrolysis Products.” Physical Chemistry Chemical Physics 25, no. 6 (2022): 4511–18. https://doi.org/10.1039/d2cp04513c.
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| DOI
2022 | Journal Article | LibreCat-ID: 40988
Weber, Sebastian, Ronny T. Zimmermann, Jens Bremer, Ken L. Abel, David Poppitz, Nils Prinz, Jan Ilsemann, et al. “Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation.” ChemCatChem 14, no. 8 (2022). https://doi.org/10.1002/cctc.202101878.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 30208
Do, Hoang Tam, Patrick Franke, Sophia Volpert, Marcel Klinksiek, Max Thome, and Christoph Held. “Measurement and Modelling Solubility of Amino Acids and Peptides in Aqueous 2-Propanol Solutions.” Physical Chemistry Chemical Physics 23, no. 18 (2021): 10852–63. https://doi.org/10.1039/d1cp00005e.
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2021 | Journal Article | LibreCat-ID: 30907
Rodriguez, Alfonso, Andres Otero, Marco Platzner, and Eduardo De la Torre. “Exploiting Hardware-Based Data-Parallel and Multithreading Models for Smart Edge Computing in Reconfigurable FPGAs.” IEEE Transactions on Computers, 2021, 1–1. https://doi.org/10.1109/tc.2021.3107196.
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2021 | Journal Article | LibreCat-ID: 31022
Abdelaty, Momen S. A., and Dirk Kuckling. “Altering of Lower Critical Solution Temperature of Environmentally Responsive Poly (N-Isopropylacrylamide-Co-Acrylic Acid-Co-Vanillin Acrylate) Affected by Acrylic Acid, Vanillin Acrylate, and Post-Polymerization Modification.” Colloid and Polymer Science 299, no. 10 (2021): 1617–29. https://doi.org/10.1007/s00396-021-04882-x.
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2021 | Journal Article | LibreCat-ID: 34042
Li, Jiaao, Yulai Ma, Zhengke Miao, Yongtang Shi, Weifan Wang, and Cun-Quan Zhang. “Nowhere-Zero 3-Flows in Toroidal Graphs.” Journal of Combinatorial Theory, Series B 153 (2021): 61–80. https://doi.org/10.1016/j.jctb.2021.11.001.
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2021 | Journal Article | LibreCat-ID: 33644
Pylaeva, Svetlana, Patrick Marx, Gurjot Singh, Thomas Kühne, Michael Roemelt, and Hossam Elgabarty. “Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids.” The Journal of Physical Chemistry A 125, no. 3 (2021): 867–74. https://doi.org/10.1021/acs.jpca.0c11296.
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2021 | Journal Article | LibreCat-ID: 33648
Ghasemi, Alireza, and Thomas Kühne. “Artificial Neural Networks for the Kinetic Energy Functional of Non-Interacting Fermions.” The Journal of Chemical Physics 154, no. 7 (2021). https://doi.org/10.1063/5.0037319.
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2021 | Journal Article | LibreCat-ID: 33651
Sahoo, Sudhir K., Ivo F. Teixeira, Aakash Naik, Julian Joachim Heske, Daniel Cruz, Markus Antonietti, Aleksandr Savateev, and Thomas Kühne. “Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(Heptazine Imide) 2D Materials.” The Journal of Physical Chemistry C 125, no. 25 (2021): 13749–58. https://doi.org/10.1021/acs.jpcc.1c03947.
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2021 | Journal Article | LibreCat-ID: 37146
Stieglitz, Stefan, Milad Mirbabaie, Nicholas R. J. Möllmann, and Jannik Rzyski. “Collaborating with Virtual Assistants in Organizations: Analyzing Social Loafing Tendencies and Responsibility Attribution.” Information Systems Frontiers 24, no. 3 (2021): 745–70. https://doi.org/10.1007/s10796-021-10201-0.
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| DOI
2021 | Journal Article | LibreCat-ID: 35687
Zhou, Rundong, and Jan Paradies. “Borane Catalyzed Redox Isomerization of 2‐Amino Chalcones: Hydride Abstraction or Hydride Migration?” European Journal of Organic Chemistry 2021, no. 46 (2021): 6334–39. https://doi.org/10.1002/ejoc.202100883.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 40433
Dong, Chuan-Ding, and Stefan Schumacher. “Microscopic Insights into Charge Formation and Energetics in N-Doped Organic Semiconductors.” The Journal of Physical Chemistry C 125, no. 40 (2021): 21824–30. https://doi.org/10.1021/acs.jpcc.1c05666.
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2021 | Journal Article | LibreCat-ID: 41324
Maier, Sarah, Steve P. Cronin, Manh-Anh Vu Dinh, Zheng Li, Michael Dyballa, Michal Nowakowski, Matthias Bauer, and Deven P. Estes. “Immobilized Platinum Hydride Species as Catalysts for Olefin Isomerizations and Enyne Cycloisomerizations.” Organometallics 40, no. 11 (2021): 1751–57. https://doi.org/10.1021/acs.organomet.1c00216.
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| DOI
2021 | Journal Article | LibreCat-ID: 41002
Nguyen, Hoang-Huy, Zheng Li, Toni Enenkel, Joachim Hildebrand, Matthias Bauer, Michael Dyballa, and Deven P. Estes. “Probing the Interactions of Immobilized Ruthenium Dihydride Complexes with Metal Oxide Surfaces by MAS NMR: Effects on CO2 Hydrogenation.” The Journal of Physical Chemistry C 125, no. 27 (2021): 14627–35. https://doi.org/10.1021/acs.jpcc.1c02074.
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| DOI
2021 | Journal Article | LibreCat-ID: 41012
Winkler, Mario, Marc Schnierle, Felix Ehrlich, Kim-Isabelle Mehnert, David Hunger, Alena M. Sheveleva, Lukas Burkhardt, et al. “Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of [(Dppf)Fe(CO) 3]+/0.” Inorganic Chemistry 60, no. 5 (2021): 2856–65. https://doi.org/10.1021/acs.inorgchem.0c03259.
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2021 | Journal Article | LibreCat-ID: 41326
Wojtaszek, Klaudia, Wojciech Błachucki, Krzysztof Tyrała, Michał Nowakowski, Marcin Zaja̧c, Joanna Stȩpień, Paweł Jagodziński, et al. “Determination of Crystal-Field Splitting Induced by Thermal Oxidation of Titanium.” The Journal of Physical Chemistry A 125, no. 1 (2021): 50–56. https://doi.org/10.1021/acs.jpca.0c07955.
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2021 | Journal Article | LibreCat-ID: 35326
Keil, Waldemar, Kai Zhao, Arthur Oswald, Wolfgang Bremser, Claudia Schmidt, and Horst Hintze-Bruening. “Thermostable Water Reservoirs in the Interlayer Space of a Sodium Hectorite Clay through the Intercalation of γ-Aminopropyl(Dimethyl)Ethoxysilane in Toluene.” Physical Chemistry Chemical Physics 24, no. 1 (2021): 477–87. https://doi.org/10.1039/d1cp03321b.
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| DOI
2021 | Journal Article | LibreCat-ID: 29748
Slawig, Diana, Markus Gruschwitz, Uwe Gerstmann, Eva Rauls, and Christoph Tegenkamp. “Adsorption and Reaction of PbPc on Hydrogenated Epitaxial Graphene.” The Journal of Physical Chemistry C 125, no. 36 (2021): 20087–93. https://doi.org/10.1021/acs.jpcc.1c06320.
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| DOI
2021 | Journal Article | LibreCat-ID: 32240
Chatwell, René Spencer, Gabriela Guevara-Carrion, Yuri Gaponenko, Valentina Shevtsova, and Jadran Vrabec. “Diffusion of the Carbon Dioxide–Ethanol Mixture in the Extended Critical Region.” Physical Chemistry Chemical Physics 23, no. 4 (2021): 3106–15. https://doi.org/10.1039/d0cp04985a.
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| DOI
2021 | Journal Article | LibreCat-ID: 53333
Winkler, Michael. “$L^1$ Solutions to Parabolic Keller-Segel Systems Involving Arbitrary Superlinear Degradation.” ANNALI SCUOLA NORMALE SUPERIORE - CLASSE DI SCIENZE, 2021, 141–72. https://doi.org/10.2422/2036-2145.202005_016.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 41009
Maier, Sarah, Steve P. Cronin, Manh-Anh Vu Dinh, Zheng Li, Michael Dyballa, Michał Nowakowski, Matthias Bauer, and Deven P. Estes. “Immobilized Platinum Hydride Species as Catalysts for Olefin Isomerizations and Enyne Cycloisomerizations.” Organometallics 40, no. 11 (2021): 1751–57. https://doi.org/10.1021/acs.organomet.1c00216.
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| DOI
2020 | Journal Article | LibreCat-ID: 32246
Mirhosseini, Hossein, Ramya Kormath Madam Raghupathy, Sudhir K. Sahoo, Hendrik Wiebeler, Manjusha Chugh, and Thomas D. Kühne. “In Silico Investigation of Cu(In,Ga)Se2-Based Solar Cells.” Physical Chemistry Chemical Physics 22, no. 46 (2020): 26682–701. https://doi.org/10.1039/d0cp04712k.
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| DOI
2020 | Journal Article | LibreCat-ID: 34301
Elgabarty, Hossam, and Thomas Kühne. “Tumbling with a Limp: Local Asymmetry in Water’s Hydrogen Bond Network and Its Consequences.” Physical Chemistry Chemical Physics 22, no. 19 (2020): 10397–411. https://doi.org/10.1039/c9cp06960g.
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| DOI
2020 | Journal Article | LibreCat-ID: 32491
Trubachev, S.A., O.P. Korobeinichev, A.I. Karpov, A.A. Shaklein, R.K. Glaznev, M.B. Gonchikzhapov, A.A. Paletsky, et al. “The Effect of Triphenyl Phosphate Inhibition on Flame Propagation over Cast PMMA Slabs.” Proceedings of the Combustion Institute 38, no. 3 (2020): 4635–44. https://doi.org/10.1016/j.proci.2020.05.043.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 37949
Stefanow, Vivian, Aiga Grandane, Marcus Eh, Johannes Panten, Anke Spannenberg, and Thomas Werner. “Stereoselective Synthesis of a Cis-Cedrane-8,9-Diol as a Key Intermediate for an Amber Odorant.” Organic Process Research and Development 25, no. 1 (2020): 89–97. https://doi.org/10.1021/acs.oprd.0c00423.
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| DOI
2020 | Journal Article | LibreCat-ID: 41018
Dierks, Philipp, Ayla Päpcke, Olga S. Bokareva, Björn Altenburger, Thomas Reuter, Katja Heinze, Oliver Kühn, Stefan Lochbrunner, and Matthias Bauer. “Ground- and Excited-State Properties of Iron(II) Complexes Linked to Organic Chromophores.” Inorganic Chemistry 59, no. 20 (2020): 14746–61. https://doi.org/10.1021/acs.inorgchem.0c02039.
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2020 | Journal Article | LibreCat-ID: 41019
Zobel, J. Patrick, Olga S. Bokareva, Peter Zimmer, Christoph Wölper, Matthias Bauer, and Leticia González. “Intersystem Crossing and Triplet Dynamics in an Iron(II) N-Heterocyclic Carbene Photosensitizer.” Inorganic Chemistry 59, no. 20 (2020): 14666–78. https://doi.org/10.1021/acs.inorgchem.0c02147.
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| DOI
2020 | Journal Article | LibreCat-ID: 41029
Naumova, Maria A., Aleksandr Kalinko, Joanne W. L. Wong, Mohamed Abdellah, Huifang Geng, Edoardo Domenichini, Jie Meng, et al. “Revealing Hot and Long-Lived Metastable Spin States in the Photoinduced Switching of Solvated Metallogrid Complexes with Femtosecond Optical and X-Ray Spectroscopies.” The Journal of Physical Chemistry Letters 11, no. 6 (2020): 2133–41. https://doi.org/10.1021/acs.jpclett.9b03883.
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2020 | Journal Article | LibreCat-ID: 41028
Naumova, Maria A., Aleksandr Kalinko, Joanne W. L. Wong, Sol Alvarez Gutierrez, Jie Meng, Mingli Liang, Mohamed Abdellah, et al. “Exploring the Light-Induced Dynamics in Solvated Metallogrid Complexes with Femtosecond Pulses across the Electromagnetic Spectrum.” The Journal of Chemical Physics 152, no. 21 (2020). https://doi.org/10.1063/1.5138641.
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2020 | Journal Article | LibreCat-ID: 41328
Kirchhof, Manuel, Katrin Gugeler, Felix Richard Fischer, Michal Nowakowski, Alina Bauer, Sonia Alvarez-Barcia, Karina Abitaev, et al. “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, no. 17 (2020): 3131–45. https://doi.org/10.1021/acs.organomet.0c00310.
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2020 | Journal Article | LibreCat-ID: 41330
Burkhardt, Lukas, Yannik Vukadinovic, Michał Nowakowski, Aleksandr Kalinko, Julian Rudolph, Per-Anders Carlsson, Christoph R. Jacob, and Matthias Bauer. “Electronic Structure of the Hieber Anion [Fe(CO)3(NO)]− Revisited by X-Ray Emission and Absorption Spectroscopy.” Inorganic Chemistry 59, no. 6 (2020): 3551–61. https://doi.org/10.1021/acs.inorgchem.9b02092.
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2020 | Journal Article | LibreCat-ID: 41329
Gregori, Bernhard J., Michal Nowakowski, Anke Schoch, Simon Pöllath, Josef Zweck, Matthias Bauer, and Axel Jacobi von Wangelin. “Stereoselective Chromium‐Catalyzed Semi‐Hydrogenation of Alkynes.” ChemCatChem 12, no. 21 (2020): 5359–63. https://doi.org/10.1002/cctc.202000994.
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2020 | Journal Article | LibreCat-ID: 41819
Carl, Nico, Sylvain Prévost, Ralf Schweins, and Klaus Huber. “Contrast Variation of Micelles Composed of Ca2+ and Block Copolymers of Two Negatively Charged Polyelectrolytes.” Colloid and Polymer Science 298, no. 7 (2020): 663–79. https://doi.org/10.1007/s00396-019-04596-1.
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2020 | Journal Article | LibreCat-ID: 45845
Mahmood, Yasir, Arne Meier, and Johannes Schmidt. “Parameterized Complexity of Abduction in Schaefer’s Framework.” Journal of Logic and Computation 31, no. 1 (2020): 266–96. https://doi.org/10.1093/logcom/exaa079.
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2020 | Journal Article | LibreCat-ID: 46546
Vukadinovic, Yannik, Lukas Burkhardt, Ayla Päpcke, Anabel Miletic, Lorena Fritsch, Björn Altenburger, Roland Schoch, Adam Neuba, Stefan Lochbrunner, and Matthias Bauer. “When Donors Turn into Acceptors: Ground and Excited State Properties of FeII Complexes with Amine-Substituted Tridentate Bis-Imidazole-2-Ylidene Pyridine Ligands.” Inorganic Chemistry 59, no. 13 (2020): 8762–74. https://doi.org/10.1021/acs.inorgchem.0c00393.
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| DOI
2020 | Journal Article | LibreCat-ID: 41022
Kirchhof, Manuel, Katrin Gugeler, Felix Richard Fischer, Michał Nowakowski, Alina Bauer, Sonia Alvarez-Barcia, Karina Abitaev, et al. “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, no. 17 (2020): 3131–45. https://doi.org/10.1021/acs.organomet.0c00310.
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2020 | Journal Article | LibreCat-ID: 41020
Gregori, Bernhard J., Michał Nowakowski, Anke Schoch, Simon Pöllath, Josef Zweck, Matthias Bauer, and Axel Jacobi von Wangelin. “Stereoselective Chromium‐Catalyzed Semi‐Hydrogenation of Alkynes.” ChemCatChem 12, no. 21 (2020): 5359–63. https://doi.org/10.1002/cctc.202000994.
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2019 | Journal Article | LibreCat-ID: 30933
Sun, Jingjiang, Juliane Anderski, Marie-Theres Picker, Klaus Langer, and Dirk Kuckling. “Preparation of Light-Responsive Aliphatic Polycarbonate via Versatile Polycondensation for Controlled Degradation.” Macromolecular Chemistry and Physics 220, no. 5 (2019). https://doi.org/10.1002/macp.201800539.
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2019 | Journal Article | LibreCat-ID: 32486
Stodt, Malte F. B., Munko Gonchikzhapov, Tina Kasper, Udo Fritsching, and Johannes Kiefer. “Chemistry of Iron Nitrate-Based Precursor Solutions for Spray-Flame Synthesis.” Physical Chemistry Chemical Physics 21, no. 44 (2019): 24793–801. https://doi.org/10.1039/c9cp05007h.
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2019 | Journal Article | LibreCat-ID: 41826
Schmidt, Nico, Susanne Keuker‐Baumann, Jörg Meyer, and Klaus Huber. “Phase Transformation Behavior of Polylactide Probed by Small Angle Light Scattering and Calorimetry.” Journal of Polymer Science Part B: Polymer Physics 57, no. 22 (2019): 1483–95. https://doi.org/10.1002/polb.24892.
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2019 | Journal Article | LibreCat-ID: 41823
Gomez, David, Klaus Huber, and Stefan Klumpp. “On Protein Folding in Crowded Conditions.” The Journal of Physical Chemistry Letters 10, no. 24 (2019): 7650–56. https://doi.org/10.1021/acs.jpclett.9b02642.
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2018 | Journal Article | LibreCat-ID: 32484
Korobeinichev, O.P., A.I. Karpov, A.A. Bolkisev, A.A. Shaklein, M.B. Gonchikzhapov, A.A. Paletsky, A.G. Tereshchenko, A.G. Shmakov, I.E. Gerasimov, and A. Kumar. “An Experimental and Numerical Study of Thermal and Chemical Structure of Downward Flame Spread over PMMA Surface in Still Air.” Proceedings of the Combustion Institute 37, no. 3 (2018): 4017–24. https://doi.org/10.1016/j.proci.2018.06.005.
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2018 | Journal Article | LibreCat-ID: 32485
Korobeinichev, O.P., А.А. Paletsky, M.B. Gonchikzhapov, R.K. Glaznev, I.E. Gerasimov, Y.K. Naganovsky, I.K. Shundrina, A.Yu. Snegirev, and R. Vinu. “Kinetics of Thermal Decomposition of PMMA at Different Heating Rates and in a Wide Temperature Range.” Thermochimica Acta 671 (2018): 17–25. https://doi.org/10.1016/j.tca.2018.10.019.
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2018 | Journal Article | LibreCat-ID: 37968
Hu, Yuya, Zhiping Yin, Thomas Werner, Anke Spannenberg, and Xiao-Feng Wu. “1,8-Diazabicyclo[5.4.0]Undec-7-Ene-Catalyzed Carbonylative Cyclization of Propargylic Alcohols with Elemental Sulfur.” European Journal of Organic Chemistry 2018, no. 10 (2018): 1274–76. https://doi.org/10.1002/ejoc.201701813.
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2018 | Journal Article | LibreCat-ID: 41044
Otto, Sven, Matthias Dorn, Christoph Förster, Matthias Bauer, Michael Seitz, and Katja Heinze. “Understanding and Exploiting Long-Lived near-Infrared Emission of a Molecular Ruby.” Coordination Chemistry Reviews 359 (2018): 102–11. https://doi.org/10.1016/j.ccr.2018.01.004.
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2018 | Journal Article | LibreCat-ID: 41039
Burkhardt, Lukas, Carsten Mueller, Oliver A. Groß, Yu Sun, Helmut Sitzmann, and Matthias Bauer. “The Bonding Situation in the Dinuclear Tetra-Hydrido Complex [{5CpFe}2(μ-H)4] Revisited by Hard X-Ray Spectroscopy.” Inorganic Chemistry 58, no. 10 (2018): 6609–18. https://doi.org/10.1021/acs.inorgchem.8b03032.
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2018 | Journal Article | LibreCat-ID: 41834
Hansch, Markus, Benjamin Hämisch, Ralf Schweins, Sylvain Prévost, and Klaus Huber. “Liquid-Liquid Phase Separation in Dilute Solutions of Poly(Styrene Sulfonate) with Multivalent Cations: Phase Diagrams, Chain Morphology, and Impact of Temperature.” The Journal of Chemical Physics 148, no. 1 (2018). https://doi.org/10.1063/1.5006618.
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2018 | Journal Article | LibreCat-ID: 41832
Urbanski, Anna, Markus Hansch, Carlos G. Lopez, Ralf Schweins, Yvonne Hertle, Thomas Hellweg, Frank Polzer, and Klaus Huber. “Polyacrylates in the Presence of an Extraordinary Monovalent Cation—Solution Behavior and Metal Nanoparticle Formation.” The Journal of Chemical Physics 149, no. 16 (2018). https://doi.org/10.1063/1.5028182.
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2018 | Journal Article | LibreCat-ID: 41833
Hansch, Markus, Hans Peter Kaub, Sascha Deck, Nico Carl, and Klaus Huber. “Reaction Enthalpy from the Binding of Multivalent Cations to Anionic Polyelectrolytes in Dilute Solutions.” The Journal of Chemical Physics 148, no. 11 (2018). https://doi.org/10.1063/1.5019877.
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2017 | Journal Article | LibreCat-ID: 32445
Yu, Xiaoqian, Marie-Theres Picker, Martin Schneider, Artjom Herberg, Sagrario Pascual, Laurent Fontaine, and Dirk Kuckling. “Synthesis of Amphiphilic Block Copolymers Based on SKA by RAFT Polymerization.” Macromolecular Chemistry and Physics 219, no. 5 (2017). https://doi.org/10.1002/macp.201700506.
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2017 | Journal Article | LibreCat-ID: 34304
Scarbath-Evers, Laura Katharina, Sascha Jähnigen, Hossam Elgabarty, Chen Song, Rei Narikawa, Jörg Matysik, and Daniel Sebastiani. “Structural Heterogeneity in a Parent Ground-State Structure of AnPixJg2 Revealed by Theory and Spectroscopy.” Physical Chemistry Chemical Physics 19, no. 21 (2017): 13882–94. https://doi.org/10.1039/c7cp01218g.
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2017 | Journal Article | LibreCat-ID: 34305
Pylaeva, Svetlana, Konstantin L. Ivanov, Marc Baldus, Daniel Sebastiani, and Hossam Elgabarty. “Molecular Mechanism of Overhauser Dynamic Nuclear Polarization in Insulating Solids.” The Journal of Physical Chemistry Letters 8, no. 10 (2017): 2137–42. https://doi.org/10.1021/acs.jpclett.7b00561.
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2017 | Journal Article | LibreCat-ID: 39665
Knust, Steffen, Markus Wahle, and Heinz-Siegfried Kitzerow. “Ferroelectric Liquid Crystals in Microcapillaries: Observation of Different Electro-Optic Switching Mechanisms.” The Journal of Physical Chemistry B 121, no. 19 (2017): 5110–15. https://doi.org/10.1021/acs.jpcb.7b00307.
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2017 | Journal Article | LibreCat-ID: 39663
Vollbrecht, Joachim, Simon Blazy, Philipp Dierks, Samuel Peurifoy, Harald Bock, and Heinz-Siegfried Kitzerow. “Electroluminescent and Optoelectronic Properties of OLEDs with Bay-Extended, Distorted Perylene Esters as Emitter Materials.” ChemPhysChem 18, no. 15 (2017): 2024–32. https://doi.org/10.1002/cphc.201700502.
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2017 | Journal Article | LibreCat-ID: 37972
Li, Wu, Ming-Ming Wang, Yuya Hu, and Thomas Werner. “B(C6F5)3-Catalyzed Regioselective Deuteration of Electron-Rich Aromatic and Heteroaromatic Compounds.” Organic Letters 19, no. 21 (2017): 5768–71. https://doi.org/10.1021/acs.orglett.7b02701.
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2017 | Journal Article | LibreCat-ID: 37976
Li, Wu, and Thomas Werner. “B(C6F5)3-Catalyzed Michael Reactions: Aromatic C–H as Nucleophiles.” Organic Letters 19, no. 10 (2017): 2568–71. https://doi.org/10.1021/acs.orglett.7b00720.
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2017 | Journal Article | LibreCat-ID: 40587
Posada, E., Nieves Lopez Salas, R. J. Jiménez Riobóo, M. L. Ferrer, M. C. Gutiérrez, and F. del Monte. “Reline Aqueous Solutions Behaving as Liquid Mixtures of H-Bonded Co-Solvents: Microphase Segregation and Formation of Co-Continuous Structures as Indicated by Brillouin and 1H NMR Spectroscopies.” Physical Chemistry Chemical Physics 19, no. 26 (2017): 17103–10. https://doi.org/10.1039/c7cp02180a.
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2016 | Journal Article | LibreCat-ID: 32480
Korobeinichev, O.P., M.B. Gonchikzhapov, A.A. Paletsky, A.G. Tereshchenko, A.G. Shmakov, I.E. Gerasimov, and D.A. Knyazkov. “Structure of Counterflow Flame of Ultrahigh-Molecular-Weight Polyethylene with and without Triphenylphosphate.” Proceedings of the Combustion Institute 36, no. 2 (2016): 3279–86. https://doi.org/10.1016/j.proci.2016.06.117.
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2016 | Journal Article | LibreCat-ID: 37984
Schirmer, Marie-Luis, Anke Spannenberg, and Thomas Werner. “Highly Functionalized Alkenes Produced from Base-Free Organocatalytic Wittig Reactions: (E)-3-Benzylidenepyrrolidine-2,5-Dione, (E)-3-Benzylidene-1-Methylpyrrolidine-2,5-Dione and (E)-3-Benzylidene-1-Tert-Butylpyrrolidine-2,5-Dione.” Acta Crystallographica Section C Structural Chemistry 72, no. 6 (2016): 504–8. https://doi.org/10.1107/s2053229616008159.
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2016 | Journal Article | LibreCat-ID: 37985
Diebler, Johannes, Anke Spannenberg, and Thomas Werner. “Regio- and Stereoselective Synthesis of Dithiocarbonates under Ambient and Solvent-Free Conditions.” ChemCatChem 8, no. 12 (2016): 2027–30. https://doi.org/10.1002/cctc.201600242.
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