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166 Publications


2024 | Journal Article | LibreCat-ID: 51221
Charge transfer in superbase n-type doping of PCBM induced by deprotonation
C.-D. Dong, F. Bauch, Y. Hu, S. Schumacher, Physical Chemistry Chemical Physics 26 (2024) 4194–4199.
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2024 | Journal Article | LibreCat-ID: 52541 LibreCat | DOI
 

2024 | Journal Article | LibreCat-ID: 52534
Dynamics of Electron–Hole Coulomb Attractive Energy and Dipole Moment of Hot Excitons in Donor–Acceptor Polymers
F. Bauch, C.-D. Dong, S. Schumacher, The Journal of Physical Chemistry C 128 (2024) 3525–3532.
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2024 | Journal Article | LibreCat-ID: 50726
Influences of Weld Nugget Shape and Material Gradient on the Shear Strength of Resistance Spot‐Welded Joints
L. Schuster, V. Olfert, O. Sherepenko, C. Fehrenbach, S. Song, D. Hein, G. Meschut, E. Biro, S. Münstermann, Steel Research International (2024).
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2023 | Journal Article | LibreCat-ID: 43391
Thermal conductivity of solid paraffins and several n-docosane compounds with graphite
A. Paul, E. Baumhögger, M.-O. Dewerth, I. Hami Dindar, G. Sonnenrein, J. Vrabec, Journal of Thermal Analysis and Calorimetry (2023).
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2023 | Journal Article | LibreCat-ID: 45828
Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V Alloy
B. Duderija, A. González-Orive, C. Ebbert, V. Neßlinger, A. Keller, G. Grundmeier, Molecules 28 (2023) 5109.
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2023 | Journal Article | LibreCat-ID: 46480
UV-enhanced environmental charge compensation in near ambient pressure XPS
H. Müller, C. Weinberger, G. Grundmeier, M.T. de los Arcos de Pedro, Journal of Electron Spectroscopy and Related Phenomena 264 (2023).
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2023 | Journal Article | LibreCat-ID: 46542 LibreCat | DOI
 

2023 | Journal Article | LibreCat-ID: 46543
Adsorption of Ferritin at Nanofaceted Al2O3 Surfaces
B.K. Pothineni, S. Kollmann, X. Li, G. Grundmeier, D.J. Erb, A. Keller, International Journal of Molecular Sciences 24 (2023).
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2023 | Journal Article | LibreCat-ID: 48167 LibreCat | DOI
 

2023 | Journal Article | LibreCat-ID: 48639
Threshold photoelectron spectroscopy and dissociative photoionization of benzonitrile
J. Kamer, D. Schleier, M. Donker, P. Hemberger, A. Bodi, J. Bouwman, Physical Chemistry Chemical Physics 25 (2023) 29070–29079.
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2023 | Journal Article | LibreCat-ID: 49356
Heterogeneous Structural Evolution of In–Zn–O Thin Films during Annealing
S.L. Moffitt, C. Cao, M.F.A.M. Van Hest, L.T. Schelhas, H.-G. Steinrück, M.F. Toney, The Journal of Physical Chemistry C 127 (2023) 23099–23108.
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2023 | Journal Article | LibreCat-ID: 50150
Investigation of the Compatibility between Warheads and Peptidomimetic Sequences of Protease Inhibitors—A Comprehensive Reactivity and Selectivity Study
P. Müller, M. Meta, J.L. Meidner, M. Schwickert, J. Meyr, K. Schwickert, C. Kersten, C. Zimmer, S.J. Hammerschmidt, A. Frey, A. Lahu, S. de la Hoz-Rodríguez, L. Agost-Beltrán, S. Rodríguez, K. Diemer, W. Neumann, F.V. Gonzàlez, B. Engels, T. Schirmeister, International Journal of Molecular Sciences 24 (2023).
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2023 | Journal Article | LibreCat-ID: 46023
Electrode Potential-Dependent Studies of Protein Adsorption on Ti6Al4V Alloy
B. Duderija, A. González-Orive, C. Ebbert, V. Neßlinger, A. Keller, G. Grundmeier, Molecules 28 (2023).
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2023 | Journal Article | LibreCat-ID: 52345
Electronic Structure and Excited-State Dynamics of the NIR-II Emissive Molybdenum(III) Analogue to the Molecular Ruby
W.R. Kitzmann, D. Hunger, A.-P.M. Reponen, C. Förster, R. Schoch, M. Bauer, S. Feldmann, J. van Slageren, K. Heinze, Inorganic Chemistry 62 (2023) 15797–15808.
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2023 | Journal Article | LibreCat-ID: 52344
Macrocyclization of Dienes under Confinement with Cationic Tungsten Imido/Oxo Alkylidene N‐Heterocyclic Carbene Complexes
F. Ziegler, J.R. Bruckner, M. Nowakowski, M. Bauer, P. Probst, B. Atwi, M.R. Buchmeiser, ChemCatChem 15 (2023).
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2023 | Journal Article | LibreCat-ID: 49608
Chemical and photophysical properties of amine functionalized bis‐NHC‐pyridine‐RuII complexes
L. Fritsch, Y. Vukadinovic, M. Lang, R. Naumann, M.-S. Bertrams, A. Kruse, R. Schoch, P. Müller, A. Neuba, P. Dierks, S. Lochbrunner, C. Kerzig, K. Heinze, M. Bauer, ChemPhotoChem (2023).
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2023 | Journal Article | LibreCat-ID: 53078
A new dual matrix burner for one-dimensional investigation of aerosol flames
S. Apazeller, M. Gonchikzhapov, M. Nanjaiah, T. Kasper, I. Wlokas, H. Wiggers, C. Schulz, Proceedings of the Combustion Institute 39 (2023) 909–918.
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2023 | Journal Article | LibreCat-ID: 36812
A new dual matrix burner for one-dimensional investigation of aerosol flames
S. Apazeller, M. Gonchikzhapov, M. Nanjaiah, T. Kasper, I. Wlokas, H. Wiggers, C. Schulz, Proceedings of the Combustion Institute (2023).
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2022 | Journal Article | LibreCat-ID: 30209
Salting-Out of DNA Origami Nanostructures by Ammonium Sulfate
M. Hanke, N. Hansen, R. Chen, G. Grundmeier, K. Fahmy, A. Keller, International Journal of Molecular Sciences 23 (2022) 2817.
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2022 | Journal Article | LibreCat-ID: 32589
Time-Dependent DNA Origami Denaturation by Guanidinium Chloride, Guanidinium Sulfate, and Guanidinium Thiocyanate
M. Hanke, N. Hansen, E. Tomm, G. Grundmeier, A. Keller, International Journal of Molecular Sciences 23 (2022) 8547.
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2022 | Journal Article | LibreCat-ID: 33690
Do Lead Halide Hybrid Perovskites Have Hydrogen Bonds?
J. Ibaceta-Jaña, M. Chugh, A.S. Novikov, H. Mirhosseini, T. Kühne, B. Szyszka, M.R. Wagner, R. Muydinov, The Journal of Physical Chemistry C 126 (2022) 16215–16226.
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2022 | Journal Article | LibreCat-ID: 36810
Experimental and kinetic modeling study of the positive ions in premixed ethylene flames over a range of equivalence ratios
D.A. Knyazkov, A.V. Cherepanov, V.G. Kiselev, I.E. Gerasimov, T. Kasper, A.G. Shmakov, Proceedings of the Combustion Institute (2022).
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2022 | Journal Article | LibreCat-ID: 36811
Kinetic investigation of the ozone-assisted partial oxidation of fuel-rich natural gas mixtures at elevated pressure
D. Kaczmarek, C. Rudolph, B. Atakan, T. Kasper, Proceedings of the Combustion Institute (2022).
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2022 | Journal Article | LibreCat-ID: 36813
A combustion chemistry study of tetramethylethylene in a laminar premixed low-pressure hydrogen flame
T. Bierkandt, P. Hemberger, P. Oßwald, N. Gaiser, M. Hoener, D. Krüger, T. Kasper, M. Köhler, Proceedings of the Combustion Institute (2022).
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2022 | Journal Article | LibreCat-ID: 40988
Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3Reference Catalyst for CO2Methanation
S. Weber, R.T. Zimmermann, J. Bremer, K.L. Abel, D. Poppitz, N. Prinz, J. Ilsemann, S. Wendholt, Q. Yang, R. Pashminehazar, F. Monaco, P. Cloetens, X. Huang, C. Kübel, E. Kondratenko, M. Bauer, M. Bäumer, M. Zobel, R. Gläser, K. Sundmacher, T.L. Sheppard, ChemCatChem 14 (2022).
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2022 | Journal Article | LibreCat-ID: 41208
Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3Reference Catalyst for CO2Methanation
S. Weber, R.T. Zimmermann, J. Bremer, K.L. Abel, D. Poppitz, N. Prinz, J. Ilsemann, S. Strübbe, Q. Yang, R. Pashminehazar, F. Monaco, P. Cloetens, X. Huang, C. Kübel, E. Kondratenko, M. Bauer, M. Bäumer, M. Zobel, R. Gläser, K. Sundmacher, T.L. Sheppard, ChemCatChem 14 (2022).
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2022 | Journal Article | LibreCat-ID: 40425
Microscopic Study of Molecular Double Doping
T. Bathe, C.-D. Dong, S. Schumacher, The Journal of Physical Chemistry A 126 (2022) 2075–2081.
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2022 | Journal Article | LibreCat-ID: 30678
Apparatus for the measurement of the thermodynamic speed of sound of diethylene glycol and triethylene glycol
M.A. Javed, S. Vater, E. Baumhögger, T. Windmann, J. Vrabec, The Journal of Chemical Thermodynamics (2022).
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2022 | Journal Article | LibreCat-ID: 33255
Thermodynamic Properties for 1-Hexene – Measurements and Modeling
B. Betken, R. Beckmüller, M. Ali Javed, E. Baumhögger, R. Span, J. Vrabec, M. Thol, The Journal of Chemical Thermodynamics (2022).
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2022 | Journal Article | LibreCat-ID: 40987
Quality or Quantity? How Structural Parameters Affect Catalytic Activity of Iron Oxides for CO Oxidation
S. Schlicher, N. Prinz, J. Bürger, A. Omlor, C. Singer, M. Zobel, R. Schoch, J.K.N. Lindner, V. Schünemann, S. Kureti, M. Bauer, Catalysts 12 (2022).
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2022 | Journal Article | LibreCat-ID: 44231
Threshold photoelectron spectroscopy of trimethylborane and its pyrolysis products
D. Schleier, M. Gerlach, D. Schaffner, D.P. Mukhopadhyay, P. Hemberger, I. Fischer, Physical Chemistry Chemical Physics 25 (2022) 4511–4518.
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2021 | Journal Article | LibreCat-ID: 30208
Measurement and modelling solubility of amino acids and peptides in aqueous 2-propanol solutions
H.T. Do, P. Franke, S. Volpert, M. Klinksiek, M. Thome, C. Held, Physical Chemistry Chemical Physics 23 (2021) 10852–10863.
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2021 | Journal Article | LibreCat-ID: 33644
Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids
S. Pylaeva, P. Marx, G. Singh, T. Kühne, M. Roemelt, H. Elgabarty, The Journal of Physical Chemistry A 125 (2021) 867–874.
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2021 | Journal Article | LibreCat-ID: 33648
Artificial neural networks for the kinetic energy functional of non-interacting fermions
A. Ghasemi, T. Kühne, The Journal of Chemical Physics 154 (2021).
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2021 | Journal Article | LibreCat-ID: 33651
Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials
S.K. Sahoo, I.F. Teixeira, A. Naik, J.J. Heske, D. Cruz, M. Antonietti, A. Savateev, T. Kühne, The Journal of Physical Chemistry C 125 (2021) 13749–13758.
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2021 | Journal Article | LibreCat-ID: 35687
Borane Catalyzed Redox Isomerization of 2‐Amino Chalcones: Hydride Abstraction or Hydride Migration?
R. Zhou, J. Paradies, European Journal of Organic Chemistry 2021 (2021) 6334–6339.
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2021 | Journal Article | LibreCat-ID: 40433
Microscopic Insights into Charge Formation and Energetics in n-Doped Organic Semiconductors
C.-D. Dong, S. Schumacher, The Journal of Physical Chemistry C 125 (2021) 21824–21830.
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2021 | Journal Article | LibreCat-ID: 41324
Immobilized Platinum Hydride Species as Catalysts for Olefin Isomerizations and Enyne Cycloisomerizations
S. Maier, S.P. Cronin, M.-A. Vu Dinh, Z. Li, M. Dyballa, M. Nowakowski, M. Bauer, D.P. Estes, Organometallics 40 (2021) 1751–1757.
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2021 | Journal Article | LibreCat-ID: 41002
Probing the Interactions of Immobilized Ruthenium Dihydride Complexes with Metal Oxide Surfaces by MAS NMR: Effects on CO2 Hydrogenation
H.-H. Nguyen, Z. Li, T. Enenkel, J. Hildebrand, M. Bauer, M. Dyballa, D.P. Estes, The Journal of Physical Chemistry C 125 (2021) 14627–14635.
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2021 | Journal Article | LibreCat-ID: 41012
Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of [(dppf)Fe(CO) 3]+/0
M. Winkler, M. Schnierle, F. Ehrlich, K.-I. Mehnert, D. Hunger, A.M. Sheveleva, L. Burkhardt, M. Bauer, F. Tuna, M.R. Ringenberg, J. van Slageren, Inorganic Chemistry 60 (2021) 2856–2865.
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2021 | Journal Article | LibreCat-ID: 41009
Immobilized Platinum Hydride Species as Catalysts for Olefin Isomerizations and Enyne Cycloisomerizations
S. Maier, S.P. Cronin, M.-A. Vu Dinh, Z. Li, M. Dyballa, M. Nowakowski, M. Bauer, D.P. Estes, Organometallics 40 (2021) 1751–1757.
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2021 | Journal Article | LibreCat-ID: 41326
Determination of Crystal-Field Splitting Induced by Thermal Oxidation of Titanium
K. Wojtaszek, W. Błachucki, K. Tyrała, M. Nowakowski, M. Zaja̧c, J. Stȩpień, P. Jagodziński, D. Banaś, W. Stańczyk, J. Czapla-Masztafiak, W.M. Kwiatek, J. Szlachetko, A. Wach, The Journal of Physical Chemistry A 125 (2021) 50–56.
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2021 | Journal Article | LibreCat-ID: 35326
Thermostable water reservoirs in the interlayer space of a sodium hectorite clay through the intercalation of γ-aminopropyl(dimethyl)ethoxysilane in toluene
W. Keil, K. Zhao, A. Oswald, W. Bremser, C. Schmidt, H. Hintze-Bruening, Physical Chemistry Chemical Physics 24 (2021) 477–487.
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2021 | Journal Article | LibreCat-ID: 29748
Adsorption and Reaction of PbPc on Hydrogenated Epitaxial Graphene
D. Slawig, M. Gruschwitz, U. Gerstmann, E. Rauls, C. Tegenkamp, The Journal of Physical Chemistry C 125 (2021) 20087–20093.
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2021 | Journal Article | LibreCat-ID: 32240
Diffusion of the carbon dioxide–ethanol mixture in the extended critical region
R.S. Chatwell, G. Guevara-Carrion, Y. Gaponenko, V. Shevtsova, J. Vrabec, Physical Chemistry Chemical Physics 23 (2021) 3106–3115.
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2020 | Journal Article | LibreCat-ID: 32246
In silico investigation of Cu(In,Ga)Se2-based solar cells
H. Mirhosseini, R. Kormath Madam Raghupathy, S.K. Sahoo, H. Wiebeler, M. Chugh, T.D. Kühne, Physical Chemistry Chemical Physics 22 (2020) 26682–26701.
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2020 | Journal Article | LibreCat-ID: 34301
Tumbling with a limp: local asymmetry in water's hydrogen bond network and its consequences
H. Elgabarty, T. Kühne, Physical Chemistry Chemical Physics 22 (2020) 10397–10411.
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2020 | Journal Article | LibreCat-ID: 32491
The effect of triphenyl phosphate inhibition on flame propagation over cast PMMA slabs
S.A. Trubachev, O.P. Korobeinichev, A.I. Karpov, A.A. Shaklein, R.K. Glaznev, M.B. Gonchikzhapov, A.A. Paletsky, A.G. Tereshchenko, A.G. Shmakov, A.S. Bespalova, H. Yuan, W. Xin, H. Weizhao, Proceedings of the Combustion Institute 38 (2020) 4635–4644.
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