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166 Publications
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.
LibreCat
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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.
LibreCat
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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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2022 | Journal Article | LibreCat-ID: 40988
S. Weber et al., “Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation,” ChemCatChem, vol. 14, no. 8, 2022, doi: 10.1002/cctc.202101878.
LibreCat
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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.
LibreCat
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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.
LibreCat
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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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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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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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2020 | Journal Article | LibreCat-ID: 37949
V. Stefanow, A. Grandane, M. Eh, J. Panten, A. Spannenberg, and T. Werner, “Stereoselective Synthesis of a cis-Cedrane-8,9-diol as a Key Intermediate for an Amber Odorant,” Organic Process Research and Development, vol. 25, no. 1, pp. 89–97, 2020, doi: 10.1021/acs.oprd.0c00423.
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2020 | Journal Article | LibreCat-ID: 41018
P. Dierks et al., “Ground- and Excited-State Properties of Iron(II) Complexes Linked to Organic Chromophores,” Inorganic Chemistry, vol. 59, no. 20, pp. 14746–14761, 2020, doi: 10.1021/acs.inorgchem.0c02039.
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2020 | Journal Article | LibreCat-ID: 41019
J. P. Zobel, O. S. Bokareva, P. Zimmer, C. Wölper, M. Bauer, and L. González, “Intersystem Crossing and Triplet Dynamics in an Iron(II) N-Heterocyclic Carbene Photosensitizer,” Inorganic Chemistry, vol. 59, no. 20, pp. 14666–14678, 2020, doi: 10.1021/acs.inorgchem.0c02147.
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2020 | Journal Article | LibreCat-ID: 41029
M. A. Naumova 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, vol. 11, no. 6, pp. 2133–2141, 2020, doi: 10.1021/acs.jpclett.9b03883.
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2020 | Journal Article | LibreCat-ID: 41028
M. A. Naumova et al., “Exploring the light-induced dynamics in solvated metallogrid complexes with femtosecond pulses across the electromagnetic spectrum,” The Journal of Chemical Physics, vol. 152, no. 21, Art. no. 214301, 2020, doi: 10.1063/1.5138641.
LibreCat
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2020 | Journal Article | LibreCat-ID: 41328
M. Kirchhof 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, vol. 39, no. 17, pp. 3131–3145, 2020, doi: 10.1021/acs.organomet.0c00310.
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2020 | Journal Article | LibreCat-ID: 41330
L. Burkhardt et al., “Electronic Structure of the Hieber Anion [Fe(CO)3(NO)]− Revisited by X-ray Emission and Absorption Spectroscopy,” Inorganic Chemistry, vol. 59, no. 6, pp. 3551–3561, 2020, doi: 10.1021/acs.inorgchem.9b02092.
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2020 | Journal Article | LibreCat-ID: 41329
B. J. Gregori et al., “Stereoselective Chromium‐Catalyzed Semi‐Hydrogenation of Alkynes,” ChemCatChem, vol. 12, no. 21, pp. 5359–5363, 2020, doi: 10.1002/cctc.202000994.
LibreCat
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2020 | Journal Article | LibreCat-ID: 41819
N. Carl, S. Prévost, R. Schweins, and K. Huber, “Contrast variation of micelles composed of Ca2+ and block copolymers of two negatively charged polyelectrolytes,” Colloid and Polymer Science, vol. 298, no. 7, pp. 663–679, 2020, doi: 10.1007/s00396-019-04596-1.
LibreCat
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2020 | Journal Article | LibreCat-ID: 46546
Y. Vukadinovic et al., “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, vol. 59, no. 13, pp. 8762–8774, 2020, doi: 10.1021/acs.inorgchem.0c00393.
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2020 | Journal Article | LibreCat-ID: 41022
M. Kirchhof 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, vol. 39, no. 17, pp. 3131–3145, 2020, doi: 10.1021/acs.organomet.0c00310.
LibreCat
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2020 | Journal Article | LibreCat-ID: 41020
B. J. Gregori et al., “Stereoselective Chromium‐Catalyzed Semi‐Hydrogenation of Alkynes,” ChemCatChem, vol. 12, no. 21, pp. 5359–5363, 2020, doi: 10.1002/cctc.202000994.
LibreCat
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2019 | Journal Article | LibreCat-ID: 30933
J. Sun, J. Anderski, M.-T. Picker, K. Langer, and D. Kuckling, “Preparation of Light-Responsive Aliphatic Polycarbonate via Versatile Polycondensation for Controlled Degradation,” Macromolecular Chemistry and Physics, vol. 220, no. 5, Art. no. 1800539, 2019, doi: 10.1002/macp.201800539.
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2019 | Journal Article | LibreCat-ID: 32486
M. F. B. Stodt, M. Gonchikzhapov, T. Kasper, U. Fritsching, and J. Kiefer, “Chemistry of iron nitrate-based precursor solutions for spray-flame synthesis,” Physical Chemistry Chemical Physics, vol. 21, no. 44, pp. 24793–24801, 2019, doi: 10.1039/c9cp05007h.
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2019 | Journal Article | LibreCat-ID: 41826
N. Schmidt, S. Keuker‐Baumann, J. Meyer, and K. Huber, “Phase Transformation Behavior of Polylactide Probed by Small Angle Light Scattering and Calorimetry,” Journal of Polymer Science Part B: Polymer Physics, vol. 57, no. 22, pp. 1483–1495, 2019, doi: 10.1002/polb.24892.
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2019 | Journal Article | LibreCat-ID: 41823
D. Gomez, K. Huber, and S. Klumpp, “On Protein Folding in Crowded Conditions,” The Journal of Physical Chemistry Letters, vol. 10, no. 24, pp. 7650–7656, 2019, doi: 10.1021/acs.jpclett.9b02642.
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2018 | Journal Article | LibreCat-ID: 32484
O. P. Korobeinichev et al., “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, vol. 37, no. 3, pp. 4017–4024, 2018, doi: 10.1016/j.proci.2018.06.005.
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2018 | Journal Article | LibreCat-ID: 32485
O. P. Korobeinichev et al., “Kinetics of thermal decomposition of PMMA at different heating rates and in a wide temperature range,” Thermochimica Acta, vol. 671, pp. 17–25, 2018, doi: 10.1016/j.tca.2018.10.019.
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2018 | Journal Article | LibreCat-ID: 37968
Y. Hu, Z. Yin, T. Werner, A. Spannenberg, and X.-F. Wu, “1,8-Diazabicyclo[5.4.0]undec-7-ene-Catalyzed Carbonylative Cyclization of Propargylic Alcohols with Elemental Sulfur,” European Journal of Organic Chemistry, vol. 2018, no. 10, pp. 1274–1276, 2018, doi: 10.1002/ejoc.201701813.
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2018 | Journal Article | LibreCat-ID: 41044
S. Otto, M. Dorn, C. Förster, M. Bauer, M. Seitz, and K. Heinze, “Understanding and exploiting long-lived near-infrared emission of a molecular ruby,” Coordination Chemistry Reviews, vol. 359, pp. 102–111, 2018, doi: 10.1016/j.ccr.2018.01.004.
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