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184 Publications
2024 | Journal Article | LibreCat-ID: 51221
Dong, Chuan-Ding, et al. “Charge Transfer in Superbase N-Type Doping of PCBM Induced by Deprotonation.” Physical Chemistry Chemical Physics, vol. 26, no. 5, Royal Society of Chemistry (RSC), 2024, pp. 4194–99, doi:10.1039/d3cp05105f.
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2024 | Journal Article | LibreCat-ID: 52541
Peschtrich, Sebastian, et al. “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, vol. 27, no. 8, Wiley, 2024, doi:10.1002/ejoc.202301207.
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2024 | Journal Article | LibreCat-ID: 52534
Bauch, Fabian, et al. “Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers.” The Journal of Physical Chemistry C, vol. 128, no. 8, American Chemical Society (ACS), 2024, pp. 3525–32, doi:10.1021/acs.jpcc.3c07513.
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2024 | Journal Article | LibreCat-ID: 50726
Schuster, Lilia, et al. “Influences of Weld Nugget Shape and Material Gradient on the Shear Strength of Resistance Spot‐Welded Joints.” Steel Research International, Wiley, 2024, doi:10.1002/srin.202300530.
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2023 | Journal Article | LibreCat-ID: 33947
Castenow, Jannik, et al. “Gathering a Euclidean Closed Chain of Robots in Linear Time and Improved Algorithms for Chain-Formation.” Theoretical Computer Science, vol. 939, Elsevier BV, 2023, pp. 261–91, doi:10.1016/j.tcs.2022.10.031.
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| DOI
| arXiv
2023 | Journal Article | LibreCat-ID: 43391
Paul, Andreas, et al. “Thermal Conductivity of Solid Paraffins and Several N-Docosane Compounds with Graphite.” Journal of Thermal Analysis and Calorimetry, Springer Science and Business Media LLC, 2023, doi:10.1007/s10973-023-12107-2.
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2023 | Journal Article | LibreCat-ID: 44857
Silva, Helmuth O. M., et al. “Algorithms for the Genome Median under a Restricted Measure of Rearrangement.” RAIRO - Operations Research, vol. 57, no. 3, EDP Sciences, 2023, pp. 1045–58, doi:10.1051/ro/2023052.
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2023 | Journal Article | LibreCat-ID: 45828
Duderija, Belma, et al. “Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V Alloy.” Molecules, vol. 28, no. 13, MDPI AG, 2023, p. 5109, doi:10.3390/molecules28135109.
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2023 | Journal Article | LibreCat-ID: 45361 | 
Schade, Robert, et al. “Breaking the Exascale Barrier for the Electronic Structure Problem in Ab-Initio Molecular Dynamics.” The International Journal of High Performance Computing Applications, 109434202311776, SAGE Publications, 2023, doi:10.1177/10943420231177631.
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2023 | Journal Article | LibreCat-ID: 46480
Müller, Hendrik, et al. “UV-Enhanced Environmental Charge Compensation in near Ambient Pressure XPS.” Journal of Electron Spectroscopy and Related Phenomena, vol. 264, 147317, Elsevier BV, 2023, doi:10.1016/j.elspec.2023.147317.
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2023 | Journal Article | LibreCat-ID: 46542
Huang, Jingyuan, et al. “Multiprotein Adsorption from Human Serum at Gold and Oxidized Iron Surfaces Studied by Atomic Force Microscopy and Polarization-Modulation Infrared Reflection Absorption Spectroscopy.” Molecules, vol. 28, no. 16, 6060, MDPI AG, 2023, doi:10.3390/molecules28166060.
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2023 | Journal Article | LibreCat-ID: 46543
Pothineni, Bhanu K., et al. “Adsorption of Ferritin at Nanofaceted Al2O3 Surfaces.” International Journal of Molecular Sciences, vol. 24, no. 16, 12808, MDPI AG, 2023, doi:10.3390/ijms241612808.
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2023 | Journal Article | LibreCat-ID: 48639
Kamer, Jerry, et al. “Threshold Photoelectron Spectroscopy and Dissociative Photoionization of Benzonitrile.” Physical Chemistry Chemical Physics, vol. 25, no. 42, Royal Society of Chemistry (RSC), 2023, pp. 29070–79, doi:10.1039/d3cp03977c.
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2023 | Journal Article | LibreCat-ID: 49356
Moffitt, Stephanie L., et al. “Heterogeneous Structural Evolution of In–Zn–O Thin Films during Annealing.” The Journal of Physical Chemistry C, vol. 127, no. 47, American Chemical Society (ACS), 2023, pp. 23099–23108, doi:10.1021/acs.jpcc.3c06410.
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2023 | Journal Article | LibreCat-ID: 48946
Gräßler, Iris, et al. “Defense-in-Depth als neues Paradigma der sicherheitsgerechten Produktentwicklung: interdisziplinäre, bedrohungsbewusste und lösungsorientierte Security.” Konstruktion, vol. 75, no. 11–12, VDI Fachmedien GmbH and Co. KG, 2023, pp. 60–65, doi:10.37544/0720-5953-2023-11-12-60.
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2023 | Journal Article | LibreCat-ID: 50150
Müller, Patrick, 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, vol. 24, no. 8, 7226, MDPI AG, 2023, doi:10.3390/ijms24087226.
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2023 | Journal Article | LibreCat-ID: 46023
Duderija, Belma, et al. “Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V Alloy.” Molecules, vol. 28, no. 13, 5109, MDPI AG, 2023, doi:10.3390/molecules28135109.
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| DOI
2023 | Journal Article | LibreCat-ID: 51357
Steffen, Eckhard, and Isaak Hieronymus Wolf. “Rotation R-Graphs.” Discrete Mathematics, 113457, Elsevier BV, 2023, doi:10.1016/j.disc.2023.113457.
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2023 | Journal Article | LibreCat-ID: 52345
Kitzmann, Winald R., et al. “Electronic Structure and Excited-State Dynamics of the NIR-II Emissive Molybdenum(III) Analogue to the Molecular Ruby.” Inorganic Chemistry, vol. 62, no. 39, American Chemical Society (ACS), 2023, pp. 15797–808, doi:10.1021/acs.inorgchem.3c02186.
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2023 | Journal Article | LibreCat-ID: 49608
Fritsch, Lorena, et al. “Chemical and Photophysical Properties of Amine Functionalized Bis‐NHC‐pyridine‐RuII Complexes.” ChemPhotoChem, Wiley, 2023, doi:10.1002/cptc.202300281.
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2023 | Journal Article | LibreCat-ID: 53078
Apazeller, Sascha, et al. “A New Dual Matrix Burner for One-Dimensional Investigation of Aerosol Flames.” Proceedings of the Combustion Institute, vol. 39, no. 1, Elsevier BV, 2023, pp. 909–18, doi:10.1016/j.proci.2022.07.166.
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2023 | Journal Article | LibreCat-ID: 36812
Apazeller, Sascha, et al. “A New Dual Matrix Burner for One-Dimensional Investigation of Aerosol Flames.” Proceedings of the Combustion Institute, Elsevier BV, 2023, doi:10.1016/j.proci.2022.07.166.
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2023 | Journal Article | LibreCat-ID: 52344
Ziegler, Felix, et al. “Macrocyclization of Dienes under Confinement with Cationic Tungsten Imido/Oxo Alkylidene N‐Heterocyclic Carbene Complexes.” ChemCatChem, vol. 15, no. 21, Wiley, 2023, doi:10.1002/cctc.202300871.
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2023 | Journal Article | LibreCat-ID: 48167
Strübbe, Sven, et al. “High‐Resolution X‐ray Absorption and Emission Spectroscopy for Detailed Analysis of New CO2 Methanation Catalysts.” ChemPhysChem, Wiley, 2023, doi:10.1002/cphc.202300113.
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2022 | Journal Article | LibreCat-ID: 29843
Castenow, Jannik, et al. “A Discrete and Continuous Study of the Max-Chain-Formation Problem.” Information and Computation, 104877, Elsevier BV, 2022, doi:10.1016/j.ic.2022.104877.
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2022 | Journal Article | LibreCat-ID: 30209
Hanke, Marcel, et al. “Salting-Out of DNA Origami Nanostructures by Ammonium Sulfate.” International Journal of Molecular Sciences, vol. 23, no. 5, MDPI AG, 2022, p. 2817, doi:10.3390/ijms23052817.
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2022 | Journal Article | LibreCat-ID: 32589
Hanke, Marcel, et al. “Time-Dependent DNA Origami Denaturation by Guanidinium Chloride, Guanidinium Sulfate, and Guanidinium Thiocyanate.” International Journal of Molecular Sciences, vol. 23, no. 15, MDPI AG, 2022, p. 8547, doi:10.3390/ijms23158547.
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2022 | Journal Article | LibreCat-ID: 33690
Ibaceta-Jaña, Josefa, et al. “Do Lead Halide Hybrid Perovskites Have Hydrogen Bonds?” The Journal of Physical Chemistry C, vol. 126, no. 38, American Chemical Society (ACS), 2022, pp. 16215–26, doi:10.1021/acs.jpcc.2c02984.
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2022 | Journal Article | LibreCat-ID: 36810
Knyazkov, Denis A., et al. “Experimental and Kinetic Modeling Study of the Positive Ions in Premixed Ethylene Flames over a Range of Equivalence Ratios.” Proceedings of the Combustion Institute, Elsevier BV, 2022, doi:10.1016/j.proci.2022.07.157.
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2022 | Journal Article | LibreCat-ID: 36811
Kaczmarek, Dennis, et al. “Kinetic Investigation of the Ozone-Assisted Partial Oxidation of Fuel-Rich Natural Gas Mixtures at Elevated Pressure.” Proceedings of the Combustion Institute, Elsevier BV, 2022, doi:10.1016/j.proci.2022.07.195.
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2022 | Journal Article | LibreCat-ID: 36813
Bierkandt, Thomas, et al. “A Combustion Chemistry Study of Tetramethylethylene in a Laminar Premixed Low-Pressure Hydrogen Flame.” Proceedings of the Combustion Institute, Elsevier BV, 2022, doi:10.1016/j.proci.2022.07.205.
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2022 | Journal Article | LibreCat-ID: 41208
Weber, Sebastian, et al. “Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3Reference Catalyst for CO2Methanation.” ChemCatChem, vol. 14, no. 8, Wiley, 2022, doi:10.1002/cctc.202101878.
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2022 | Journal Article | LibreCat-ID: 34700
Gharibian, Sevag, et al. “Quantum Generalizations of the Polynomial Hierarchy with Applications to QMA(2).” Computational Complexity, vol. 31, no. 2, 13, Springer Science and Business Media LLC, 2022, doi:10.1007/s00037-022-00231-8.
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2022 | Journal Article | LibreCat-ID: 40425
Bathe, Thomas, et al. “Microscopic Study of Molecular Double Doping.” The Journal of Physical Chemistry A, vol. 126, no. 13, American Chemical Society (ACS), 2022, pp. 2075–81, doi:10.1021/acs.jpca.1c09179.
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2022 | Journal Article | LibreCat-ID: 30678
Javed, Muhammad Ali, et al. “Apparatus for the Measurement of the Thermodynamic Speed of Sound of Diethylene Glycol and Triethylene Glycol.” The Journal of Chemical Thermodynamics, 106766, Elsevier BV, 2022, doi:10.1016/j.jct.2022.106766.
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2022 | Journal Article | LibreCat-ID: 33255
Betken, Benjamin, et al. “Thermodynamic Properties for 1-Hexene – Measurements and Modeling.” The Journal of Chemical Thermodynamics, 106881, Elsevier BV, 2022, doi: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, vol. 38, no. 3, 104, Springer Science and Business Media LLC, 2022, doi:10.1007/s00373-022-02506-x.
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| arXiv
2022 | Journal Article | LibreCat-ID: 45847
Kontinen, Juha, et al. “A Parameterized View on the Complexity of Dependence and Independence Logic.” Journal of Logic and Computation, vol. 32, no. 8, Oxford University Press (OUP), 2022, pp. 1624–44, doi:10.1093/logcom/exac070.
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2022 | Journal Article | LibreCat-ID: 33684 |
Schade, Robert, et al. “Towards Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms.” Parallel Computing, vol. 111, 102920, Elsevier BV, 2022, doi:10.1016/j.parco.2022.102920.
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2022 | Journal Article | LibreCat-ID: 40987
Schlicher, Steffen, et al. “Quality or Quantity? How Structural Parameters Affect Catalytic Activity of Iron Oxides for CO Oxidation.” Catalysts, vol. 12, no. 6, 675, MDPI AG, 2022, doi:10.3390/catal12060675.
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2022 | Journal Article | LibreCat-ID: 44231
Schleier, Domenik, et al. “Threshold Photoelectron Spectroscopy of Trimethylborane and Its Pyrolysis Products.” Physical Chemistry Chemical Physics, vol. 25, no. 6, Royal Society of Chemistry (RSC), 2022, pp. 4511–18, doi:10.1039/d2cp04513c.
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2022 | Journal Article | LibreCat-ID: 40988
Weber, Sebastian, et al. “Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation.” ChemCatChem, vol. 14, no. 8, Wiley, 2022, doi:10.1002/cctc.202101878.
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2021 | Journal Article | LibreCat-ID: 30208
Do, Hoang Tam, et al. “Measurement and Modelling Solubility of Amino Acids and Peptides in Aqueous 2-Propanol Solutions.” Physical Chemistry Chemical Physics, vol. 23, no. 18, Royal Society of Chemistry (RSC), 2021, pp. 10852–63, doi:10.1039/d1cp00005e.
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2021 | Journal Article | LibreCat-ID: 30907
Rodriguez, Alfonso, et al. “Exploiting Hardware-Based Data-Parallel and Multithreading Models for Smart Edge Computing in Reconfigurable FPGAs.” IEEE Transactions on Computers, Institute of Electrical and Electronics Engineers (IEEE), 2021, pp. 1–1, doi: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, vol. 299, no. 10, Springer Science and Business Media LLC, 2021, pp. 1617–29, doi:10.1007/s00396-021-04882-x.
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2021 | Journal Article | LibreCat-ID: 34042
Li, Jiaao, et al. “Nowhere-Zero 3-Flows in Toroidal Graphs.” Journal of Combinatorial Theory, Series B, vol. 153, Elsevier BV, 2021, pp. 61–80, doi:10.1016/j.jctb.2021.11.001.
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2021 | Journal Article | LibreCat-ID: 33644
Pylaeva, Svetlana, et al. “Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids.” The Journal of Physical Chemistry A, vol. 125, no. 3, American Chemical Society (ACS), 2021, pp. 867–74, doi: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, vol. 154, no. 7, 074107, AIP Publishing, 2021, doi:10.1063/5.0037319.
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2021 | Journal Article | LibreCat-ID: 33651
Sahoo, Sudhir K., et al. “Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(Heptazine Imide) 2D Materials.” The Journal of Physical Chemistry C, vol. 125, no. 25, American Chemical Society (ACS), 2021, pp. 13749–58, doi:10.1021/acs.jpcc.1c03947.
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2021 | Journal Article | LibreCat-ID: 37146
Stieglitz, Stefan, et al. “Collaborating with Virtual Assistants in Organizations: Analyzing Social Loafing Tendencies and Responsibility Attribution.” Information Systems Frontiers, vol. 24, no. 3, Springer Science and Business Media LLC, 2021, pp. 745–70, doi:10.1007/s10796-021-10201-0.
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