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166 Publications
2024 | Journal Article | LibreCat-ID: 51221
C.-D. Dong, F. Bauch, Y. Hu, and S. Schumacher, “Charge transfer in superbase n-type doping of PCBM induced by deprotonation,” Physical Chemistry Chemical Physics, vol. 26, no. 5, pp. 4194–4199, 2024, doi: 10.1039/d3cp05105f.
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2024 | Journal Article | LibreCat-ID: 52541
S. Peschtrich, R. Schoch, D. Kuckling, and J. 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, vol. 27, no. 8, 2024, doi: 10.1002/ejoc.202301207.
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2024 | Journal Article | LibreCat-ID: 52534
F. Bauch, C.-D. Dong, and S. Schumacher, “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, pp. 3525–3532, 2024, doi: 10.1021/acs.jpcc.3c07513.
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2024 | Journal Article | LibreCat-ID: 50726
L. Schuster et al., “Influences of Weld Nugget Shape and Material Gradient on the Shear Strength of Resistance Spot‐Welded Joints,” steel research international, 2024, doi: 10.1002/srin.202300530.
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2023 | Journal Article | LibreCat-ID: 43391
A. Paul, E. Baumhögger, M.-O. Dewerth, I. Hami Dindar, G. Sonnenrein, and J. Vrabec, “Thermal conductivity of solid paraffins and several n-docosane compounds with graphite,” Journal of Thermal Analysis and Calorimetry, 2023, doi: 10.1007/s10973-023-12107-2.
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2023 | Journal Article | LibreCat-ID: 45828
B. Duderija, A. González-Orive, C. Ebbert, V. Neßlinger, A. Keller, and G. Grundmeier, “Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V Alloy,” Molecules, vol. 28, no. 13, p. 5109, 2023, doi: 10.3390/molecules28135109.
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2023 | Journal Article | LibreCat-ID: 46480
H. Müller, C. Weinberger, G. Grundmeier, and M. T. de los Arcos de Pedro, “UV-enhanced environmental charge compensation in near ambient pressure XPS,” Journal of Electron Spectroscopy and Related Phenomena, vol. 264, Art. no. 147317, 2023, doi: 10.1016/j.elspec.2023.147317.
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2023 | Journal Article | LibreCat-ID: 46542
J. Huang, Y. Qiu, F. Lücke, J. Su, G. Grundmeier, and A. 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, vol. 28, no. 16, Art. no. 6060, 2023, doi: 10.3390/molecules28166060.
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2023 | Journal Article | LibreCat-ID: 46543
B. K. Pothineni, S. Kollmann, X. Li, G. Grundmeier, D. J. Erb, and A. Keller, “Adsorption of Ferritin at Nanofaceted Al2O3 Surfaces,” International Journal of Molecular Sciences, vol. 24, no. 16, Art. no. 12808, 2023, doi: 10.3390/ijms241612808.
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2023 | Journal Article | LibreCat-ID: 48167
S. Strübbe, M. Nowakowski, R. Schoch, and M. Bauer, “High‐Resolution X‐ray Absorption and Emission Spectroscopy for Detailed Analysis of New CO2 Methanation Catalysts,” ChemPhysChem, 2023, doi: 10.1002/cphc.202300113.
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2023 | Journal Article | LibreCat-ID: 48639
J. Kamer, D. Schleier, M. Donker, P. Hemberger, A. Bodi, and J. Bouwman, “Threshold photoelectron spectroscopy and dissociative photoionization of benzonitrile,” Physical Chemistry Chemical Physics, vol. 25, no. 42, pp. 29070–29079, 2023, doi: 10.1039/d3cp03977c.
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2023 | Journal Article | LibreCat-ID: 49356
S. L. Moffitt, C. Cao, M. F. A. M. Van Hest, L. T. Schelhas, H.-G. Steinrück, and M. F. Toney, “Heterogeneous Structural Evolution of In–Zn–O Thin Films during Annealing,” The Journal of Physical Chemistry C, vol. 127, no. 47, pp. 23099–23108, 2023, doi: 10.1021/acs.jpcc.3c06410.
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2023 | Journal Article | LibreCat-ID: 50150
P. Müller 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, Art. no. 7226, 2023, doi: 10.3390/ijms24087226.
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2023 | Journal Article | LibreCat-ID: 46023
B. Duderija, A. González-Orive, C. Ebbert, V. Neßlinger, A. Keller, and G. Grundmeier, “Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V Alloy,” Molecules, vol. 28, no. 13, Art. no. 5109, 2023, doi: 10.3390/molecules28135109.
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2023 | Journal Article | LibreCat-ID: 52345
W. R. Kitzmann 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, pp. 15797–15808, 2023, doi: 10.1021/acs.inorgchem.3c02186.
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2023 | Journal Article | LibreCat-ID: 52344
F. Ziegler et al., “Macrocyclization of Dienes under Confinement with Cationic Tungsten Imido/Oxo Alkylidene N‐Heterocyclic Carbene Complexes,” ChemCatChem, vol. 15, no. 21, 2023, doi: 10.1002/cctc.202300871.
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2023 | Journal Article | LibreCat-ID: 49608
L. Fritsch et al., “Chemical and photophysical properties of amine functionalized bis‐NHC‐pyridine‐RuII complexes,” ChemPhotoChem, 2023, doi: 10.1002/cptc.202300281.
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2023 | Journal Article | LibreCat-ID: 53078
S. Apazeller et al., “A new dual matrix burner for one-dimensional investigation of aerosol flames,” Proceedings of the Combustion Institute, vol. 39, no. 1, pp. 909–918, 2023, doi: 10.1016/j.proci.2022.07.166.
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2023 | Journal Article | LibreCat-ID: 36812
S. Apazeller et al., “A new dual matrix burner for one-dimensional investigation of aerosol flames,” Proceedings of the Combustion Institute, 2023, doi: 10.1016/j.proci.2022.07.166.
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2022 | Journal Article | LibreCat-ID: 30209
M. Hanke, N. Hansen, R. Chen, G. Grundmeier, K. Fahmy, and A. Keller, “Salting-Out of DNA Origami Nanostructures by Ammonium Sulfate,” International Journal of Molecular Sciences, vol. 23, no. 5, p. 2817, 2022, doi: 10.3390/ijms23052817.
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2022 | Journal Article | LibreCat-ID: 32589
M. Hanke, N. Hansen, E. Tomm, G. Grundmeier, and A. Keller, “Time-Dependent DNA Origami Denaturation by Guanidinium Chloride, Guanidinium Sulfate, and Guanidinium Thiocyanate,” International Journal of Molecular Sciences, vol. 23, no. 15, p. 8547, 2022, doi: 10.3390/ijms23158547.
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2022 | Journal Article | LibreCat-ID: 33690
J. Ibaceta-Jaña et al., “Do Lead Halide Hybrid Perovskites Have Hydrogen Bonds?,” The Journal of Physical Chemistry C, vol. 126, no. 38, pp. 16215–16226, 2022, doi: 10.1021/acs.jpcc.2c02984.
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2022 | Journal Article | LibreCat-ID: 36810
D. A. Knyazkov, A. V. Cherepanov, V. G. Kiselev, I. E. Gerasimov, T. Kasper, and A. 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, doi: 10.1016/j.proci.2022.07.157.
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2022 | Journal Article | LibreCat-ID: 36811
D. Kaczmarek, C. Rudolph, B. Atakan, and T. Kasper, “Kinetic investigation of the ozone-assisted partial oxidation of fuel-rich natural gas mixtures at elevated pressure,” Proceedings of the Combustion Institute, 2022, doi: 10.1016/j.proci.2022.07.195.
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2022 | Journal Article | LibreCat-ID: 36813
T. Bierkandt et al., “A combustion chemistry study of tetramethylethylene in a laminar premixed low-pressure hydrogen flame,” Proceedings of the Combustion Institute, 2022, doi: 10.1016/j.proci.2022.07.205.
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2022 | Journal Article | LibreCat-ID: 40988
S. Weber et al., “Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3Reference Catalyst for CO2Methanation,” ChemCatChem, vol. 14, no. 8, 2022, doi: 10.1002/cctc.202101878.
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2022 | Journal Article | LibreCat-ID: 41208
S. Weber et al., “Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3Reference Catalyst for CO2Methanation,” ChemCatChem, vol. 14, no. 8, 2022, doi: 10.1002/cctc.202101878.
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2022 | Journal Article | LibreCat-ID: 40425
T. Bathe, C.-D. Dong, and S. Schumacher, “Microscopic Study of Molecular Double Doping,” The Journal of Physical Chemistry A, vol. 126, no. 13, pp. 2075–2081, 2022, doi: 10.1021/acs.jpca.1c09179.
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2022 | Journal Article | LibreCat-ID: 30678
M. A. Javed, S. Vater, E. Baumhögger, T. Windmann, and J. Vrabec, “Apparatus for the measurement of the thermodynamic speed of sound of diethylene glycol and triethylene glycol,” The Journal of Chemical Thermodynamics, Art. no. 106766, 2022, doi: 10.1016/j.jct.2022.106766.
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2022 | Journal Article | LibreCat-ID: 33255
B. Betken et al., “Thermodynamic Properties for 1-Hexene – Measurements and Modeling,” The Journal of Chemical Thermodynamics, Art. no. 106881, 2022, doi: 10.1016/j.jct.2022.106881.
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2022 | Journal Article | LibreCat-ID: 40987
S. Schlicher et al., “Quality or Quantity? How Structural Parameters Affect Catalytic Activity of Iron Oxides for CO Oxidation,” Catalysts, vol. 12, no. 6, Art. no. 675, 2022, doi: 10.3390/catal12060675.
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2022 | Journal Article | LibreCat-ID: 44231
D. Schleier, M. Gerlach, D. Schaffner, D. P. Mukhopadhyay, P. Hemberger, and I. Fischer, “Threshold photoelectron spectroscopy of trimethylborane and its pyrolysis products,” Physical Chemistry Chemical Physics, vol. 25, no. 6, pp. 4511–4518, 2022, doi: 10.1039/d2cp04513c.
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2021 | Journal Article | LibreCat-ID: 30208
H. T. Do, P. Franke, S. Volpert, M. Klinksiek, M. Thome, and C. Held, “Measurement and modelling solubility of amino acids and peptides in aqueous 2-propanol solutions,” Physical Chemistry Chemical Physics, vol. 23, no. 18, pp. 10852–10863, 2021, doi: 10.1039/d1cp00005e.
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2021 | Journal Article | LibreCat-ID: 31022
M. S. A. Abdelaty and D. 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, pp. 1617–1629, 2021, doi: 10.1007/s00396-021-04882-x.
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2021 | Journal Article | LibreCat-ID: 33644
S. Pylaeva, P. Marx, G. Singh, T. Kühne, M. Roemelt, and H. Elgabarty, “Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids,” The Journal of Physical Chemistry A, vol. 125, no. 3, pp. 867–874, 2021, doi: 10.1021/acs.jpca.0c11296.
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2021 | Journal Article | LibreCat-ID: 33648
A. Ghasemi and T. Kühne, “Artificial neural networks for the kinetic energy functional of non-interacting fermions,” The Journal of Chemical Physics, vol. 154, no. 7, Art. no. 074107, 2021, doi: 10.1063/5.0037319.
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2021 | Journal Article | LibreCat-ID: 33651
S. K. Sahoo 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, pp. 13749–13758, 2021, doi: 10.1021/acs.jpcc.1c03947.
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2021 | Journal Article | LibreCat-ID: 35687
R. Zhou and J. Paradies, “Borane Catalyzed Redox Isomerization of 2‐Amino Chalcones: Hydride Abstraction or Hydride Migration?,” European Journal of Organic Chemistry, vol. 2021, no. 46, pp. 6334–6339, 2021, doi: 10.1002/ejoc.202100883.
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2021 | Journal Article | LibreCat-ID: 40433
C.-D. Dong and S. Schumacher, “Microscopic Insights into Charge Formation and Energetics in n-Doped Organic Semiconductors,” The Journal of Physical Chemistry C, vol. 125, no. 40, pp. 21824–21830, 2021, doi: 10.1021/acs.jpcc.1c05666.
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2021 | Journal Article | LibreCat-ID: 41324
S. Maier et al., “Immobilized Platinum Hydride Species as Catalysts for Olefin Isomerizations and Enyne Cycloisomerizations,” Organometallics, vol. 40, no. 11, pp. 1751–1757, 2021, doi: 10.1021/acs.organomet.1c00216.
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2021 | Journal Article | LibreCat-ID: 41002
H.-H. Nguyen et al., “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, vol. 125, no. 27, pp. 14627–14635, 2021, doi: 10.1021/acs.jpcc.1c02074.
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2021 | Journal Article | LibreCat-ID: 41012
M. Winkler et al., “Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of [(dppf)Fe(CO) 3]+/0,” Inorganic Chemistry, vol. 60, no. 5, pp. 2856–2865, 2021, doi: 10.1021/acs.inorgchem.0c03259.
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2021 | Journal Article | LibreCat-ID: 41009
S. Maier et al., “Immobilized Platinum Hydride Species as Catalysts for Olefin Isomerizations and Enyne Cycloisomerizations,” Organometallics, vol. 40, no. 11, pp. 1751–1757, 2021, doi: 10.1021/acs.organomet.1c00216.
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2021 | Journal Article | LibreCat-ID: 41326
K. Wojtaszek et al., “Determination of Crystal-Field Splitting Induced by Thermal Oxidation of Titanium,” The Journal of Physical Chemistry A, vol. 125, no. 1, pp. 50–56, 2021, doi: 10.1021/acs.jpca.0c07955.
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2021 | Journal Article | LibreCat-ID: 35326
W. Keil, K. Zhao, A. Oswald, W. Bremser, C. Schmidt, and H. 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, vol. 24, no. 1, pp. 477–487, 2021, doi: 10.1039/d1cp03321b.
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2021 | Journal Article | LibreCat-ID: 29748
D. Slawig, M. Gruschwitz, U. Gerstmann, E. Rauls, and C. Tegenkamp, “Adsorption and Reaction of PbPc on Hydrogenated Epitaxial Graphene,” The Journal of Physical Chemistry C, vol. 125, no. 36, pp. 20087–20093, 2021, doi: 10.1021/acs.jpcc.1c06320.
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2021 | Journal Article | LibreCat-ID: 32240
R. S. Chatwell, G. Guevara-Carrion, Y. Gaponenko, V. Shevtsova, and J. Vrabec, “Diffusion of the carbon dioxide–ethanol mixture in the extended critical region,” Physical Chemistry Chemical Physics, vol. 23, no. 4, pp. 3106–3115, 2021, doi: 10.1039/d0cp04985a.
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2020 | Journal Article | LibreCat-ID: 32246
H. Mirhosseini, R. Kormath Madam Raghupathy, S. K. Sahoo, H. Wiebeler, M. Chugh, and T. D. Kühne, “In silico investigation of Cu(In,Ga)Se2-based solar cells,” Physical Chemistry Chemical Physics, vol. 22, no. 46, pp. 26682–26701, 2020, doi: 10.1039/d0cp04712k.
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2020 | Journal Article | LibreCat-ID: 34301
H. Elgabarty and T. Kühne, “Tumbling with a limp: local asymmetry in water’s hydrogen bond network and its consequences,” Physical Chemistry Chemical Physics, vol. 22, no. 19, pp. 10397–10411, 2020, doi: 10.1039/c9cp06960g.
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2020 | Journal Article | LibreCat-ID: 32491
S. A. Trubachev et al., “The effect of triphenyl phosphate inhibition on flame propagation over cast PMMA slabs,” Proceedings of the Combustion Institute, vol. 38, no. 3, pp. 4635–4644, 2020, doi: 10.1016/j.proci.2020.05.043.
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