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184 Publications


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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2022 | Journal Article | LibreCat-ID: 40988
Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation
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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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: 30907
Exploiting Hardware-Based Data-Parallel and Multithreading Models for Smart Edge Computing in Reconfigurable FPGAs
A. Rodriguez, A. Otero, M. Platzner, E. De la Torre, IEEE Transactions on Computers (2021) 1–1.
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2021 | Journal Article | LibreCat-ID: 34042
Nowhere-zero 3-flows in toroidal graphs
J. Li, Y. Ma, Z. Miao, Y. Shi, W. Wang, C.-Q. Zhang, Journal of Combinatorial Theory, Series B 153 (2021) 61–80.
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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: 37146
Collaborating with Virtual Assistants in Organizations: Analyzing Social Loafing Tendencies and Responsibility Attribution
S. Stieglitz, M. Mirbabaie, N.R.J. Möllmann, J. Rzyski, Information Systems Frontiers 24 (2021) 745–770.
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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: 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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2021 | Journal Article | LibreCat-ID: 53333
$L^1$ solutions to parabolic Keller-Segel systems involving arbitrary superlinear degradation
M. Winkler, ANNALI SCUOLA NORMALE SUPERIORE - CLASSE DI SCIENZE (2021) 141–172.
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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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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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2020 | Journal Article | LibreCat-ID: 37949
Stereoselective Synthesis of a cis-Cedrane-8,9-diol as a Key Intermediate for an Amber Odorant
V. Stefanow, A. Grandane, M. Eh, J. Panten, A. Spannenberg, T. Werner, Organic Process Research and Development 25 (2020) 89–97.
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2020 | Journal Article | LibreCat-ID: 41018
Ground- and Excited-State Properties of Iron(II) Complexes Linked to Organic Chromophores
P. Dierks, A. Päpcke, O.S. Bokareva, B. Altenburger, T. Reuter, K. Heinze, O. Kühn, S. Lochbrunner, M. Bauer, Inorganic Chemistry 59 (2020) 14746–14761.
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2020 | Journal Article | LibreCat-ID: 41019
Intersystem Crossing and Triplet Dynamics in an Iron(II) N-Heterocyclic Carbene Photosensitizer
J.P. Zobel, O.S. Bokareva, P. Zimmer, C. Wölper, M. Bauer, L. González, Inorganic Chemistry 59 (2020) 14666–14678.
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2020 | Journal Article | LibreCat-ID: 41029
Revealing Hot and Long-Lived Metastable Spin States in the Photoinduced Switching of Solvated Metallogrid Complexes with Femtosecond Optical and X-ray Spectroscopies
M.A. Naumova, A. Kalinko, J.W.L. Wong, M. Abdellah, H. Geng, E. Domenichini, J. Meng, S.A. Gutierrez, P.-A. Mante, W. Lin, P. Zalden, A. Galler, F. Lima, K. Kubicek, M. Biednov, A. Britz, S. Checchia, V. Kabanova, M. Wulff, J. Zimara, D. Schwarzer, S. Demeshko, V. Murzin, D. Gosztola, M. Jarenmark, J. Zhang, M. Bauer, M.L. Lawson Daku, W. Gawelda, D. Khakhulin, C. Bressler, F. Meyer, K. Zheng, S.E. Canton, The Journal of Physical Chemistry Letters 11 (2020) 2133–2141.
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2020 | Journal Article | LibreCat-ID: 41028
Exploring the light-induced dynamics in solvated metallogrid complexes with femtosecond pulses across the electromagnetic spectrum
M.A. Naumova, A. Kalinko, J.W.L. Wong, S. Alvarez Gutierrez, J. Meng, M. Liang, M. Abdellah, H. Geng, W. Lin, K. Kubicek, M. Biednov, F. Lima, A. Galler, P. Zalden, S. Checchia, P.-A. Mante, J. Zimara, D. Schwarzer, S. Demeshko, V. Murzin, D. Gosztola, M. Jarenmark, J. Zhang, M. Bauer, M.L. Lawson Daku, D. Khakhulin, W. Gawelda, C. Bressler, F. Meyer, K. Zheng, S.E. Canton, The Journal of Chemical Physics 152 (2020).
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2020 | Journal Article | LibreCat-ID: 41328
Experimental and Theoretical Study on the Role of Monomeric vs Dimeric Rhodium Oxazolidinone Norbornadiene Complexes in Catalytic Asymmetric 1,2- and 1,4-Additions
M. Kirchhof, K. Gugeler, F.R. Fischer, M. Nowakowski, A. Bauer, S. Alvarez-Barcia, K. Abitaev, M. Schnierle, Y. Qawasmi, W. Frey, A. Baro, D.P. Estes, T. Sottmann, M.R. Ringenberg, B. Plietker, M. Bauer, J. Kästner, S. Laschat, Organometallics 39 (2020) 3131–3145.
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2020 | Journal Article | LibreCat-ID: 41330
Electronic Structure of the Hieber Anion [Fe(CO)3(NO)] Revisited by X-ray Emission and Absorption Spectroscopy
L. Burkhardt, Y. Vukadinovic, M. Nowakowski, A. Kalinko, J. Rudolph, P.-A. Carlsson, C.R. Jacob, M. Bauer, Inorganic Chemistry 59 (2020) 3551–3561.
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2020 | Journal Article | LibreCat-ID: 41329
Stereoselective Chromium‐Catalyzed Semi‐Hydrogenation of Alkynes
B.J. Gregori, M. Nowakowski, A. Schoch, S. Pöllath, J. Zweck, M. Bauer, A. Jacobi von Wangelin, ChemCatChem 12 (2020) 5359–5363.
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2020 | Journal Article | LibreCat-ID: 41819
Contrast variation of micelles composed of Ca2+ and block copolymers of two negatively charged polyelectrolytes
N. Carl, S. Prévost, R. Schweins, K. Huber, Colloid and Polymer Science 298 (2020) 663–679.
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2020 | Journal Article | LibreCat-ID: 45845
Parameterized complexity of abduction in Schaefer’s framework
Y. Mahmood, A. Meier, J. Schmidt, Journal of Logic and Computation 31 (2020) 266–296.
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2020 | Journal Article | LibreCat-ID: 46546
When Donors Turn into Acceptors: Ground and Excited State Properties of FeII Complexes with Amine-Substituted Tridentate Bis-imidazole-2-ylidene Pyridine Ligands
Y. Vukadinovic, L. Burkhardt, A. Päpcke, A. Miletic, L. Fritsch, B. Altenburger, R. Schoch, A. Neuba, S. Lochbrunner, M. Bauer, Inorganic Chemistry 59 (2020) 8762–8774.
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2020 | Journal Article | LibreCat-ID: 41022
Experimental and Theoretical Study on the Role of Monomeric vs Dimeric Rhodium Oxazolidinone Norbornadiene Complexes in Catalytic Asymmetric 1,2- and 1,4-Additions
M. Kirchhof, K. Gugeler, F.R. Fischer, M. Nowakowski, A. Bauer, S. Alvarez-Barcia, K. Abitaev, M. Schnierle, Y. Qawasmi, W. Frey, A. Baro, D.P. Estes, T. Sottmann, M.R. Ringenberg, B. Plietker, M. Bauer, J. Kästner, S. Laschat, Organometallics 39 (2020) 3131–3145.
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2020 | Journal Article | LibreCat-ID: 41020
Stereoselective Chromium‐Catalyzed Semi‐Hydrogenation of Alkynes
B.J. Gregori, M. Nowakowski, A. Schoch, S. Pöllath, J. Zweck, M. Bauer, A. Jacobi von Wangelin, ChemCatChem 12 (2020) 5359–5363.
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2019 | Journal Article | LibreCat-ID: 30933
Preparation of Light-Responsive Aliphatic Polycarbonate via Versatile Polycondensation for Controlled Degradation
J. Sun, J. Anderski, M.-T. Picker, K. Langer, D. Kuckling, Macromolecular Chemistry and Physics 220 (2019).
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2019 | Journal Article | LibreCat-ID: 32486
Chemistry of iron nitrate-based precursor solutions for spray-flame synthesis
M.F.B. Stodt, M. Gonchikzhapov, T. Kasper, U. Fritsching, J. Kiefer, Physical Chemistry Chemical Physics 21 (2019) 24793–24801.
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2019 | Journal Article | LibreCat-ID: 41826
Phase Transformation Behavior of Polylactide Probed by Small Angle Light Scattering and Calorimetry
N. Schmidt, S. Keuker‐Baumann, J. Meyer, K. Huber, Journal of Polymer Science Part B: Polymer Physics 57 (2019) 1483–1495.
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2019 | Journal Article | LibreCat-ID: 41823
On Protein Folding in Crowded Conditions
D. Gomez, K. Huber, S. Klumpp, The Journal of Physical Chemistry Letters 10 (2019) 7650–7656.
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2018 | Journal Article | LibreCat-ID: 32484
An experimental and numerical study of thermal and chemical structure of downward flame spread over PMMA surface in still air
O.P. Korobeinichev, A.I. Karpov, A.A. Bolkisev, A.A. Shaklein, M.B. Gonchikzhapov, A.A. Paletsky, A.G. Tereshchenko, A.G. Shmakov, I.E. Gerasimov, A. Kumar, Proceedings of the Combustion Institute 37 (2018) 4017–4024.
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2018 | Journal Article | LibreCat-ID: 32485
Kinetics of thermal decomposition of PMMA at different heating rates and in a wide temperature range
O.P. Korobeinichev, А.А. Paletsky, M.B. Gonchikzhapov, R.K. Glaznev, I.E. Gerasimov, Y.K. Naganovsky, I.K. Shundrina, A.Yu. Snegirev, R. Vinu, Thermochimica Acta 671 (2018) 17–25.
LibreCat | DOI
 

2018 | Journal Article | LibreCat-ID: 37968
1,8-Diazabicyclo[5.4.0]undec-7-ene-Catalyzed Carbonylative Cyclization of Propargylic Alcohols with Elemental Sulfur
Y. Hu, Z. Yin, T. Werner, A. Spannenberg, X.-F. Wu, European Journal of Organic Chemistry 2018 (2018) 1274–1276.
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2018 | Journal Article | LibreCat-ID: 41044
Understanding and exploiting long-lived near-infrared emission of a molecular ruby
S. Otto, M. Dorn, C. Förster, M. Bauer, M. Seitz, K. Heinze, Coordination Chemistry Reviews 359 (2018) 102–111.
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2018 | Journal Article | LibreCat-ID: 41039
The Bonding Situation in the Dinuclear Tetra-Hydrido Complex [{5CpFe}2(μ-H)4] Revisited by Hard X-Ray Spectroscopy
L. Burkhardt, C. Mueller, O.A. Groß, Y. Sun, H. Sitzmann, M. Bauer, Inorganic Chemistry 58 (2018) 6609–6618.
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2018 | Journal Article | LibreCat-ID: 41834 LibreCat | DOI
 

2018 | Journal Article | LibreCat-ID: 41832
Polyacrylates in the presence of an extraordinary monovalent cation—Solution behavior and metal nanoparticle formation
A. Urbanski, M. Hansch, C.G. Lopez, R. Schweins, Y. Hertle, T. Hellweg, F. Polzer, K. Huber, The Journal of Chemical Physics 149 (2018).
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2018 | Journal Article | LibreCat-ID: 41833
Reaction enthalpy from the binding of multivalent cations to anionic polyelectrolytes in dilute solutions
M. Hansch, H.P. Kaub, S. Deck, N. Carl, K. Huber, The Journal of Chemical Physics 148 (2018).
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2017 | Journal Article | LibreCat-ID: 32445
Synthesis of Amphiphilic Block Copolymers Based on SKA by RAFT Polymerization
X. Yu, M.-T. Picker, M. Schneider, A. Herberg, S. Pascual, L. Fontaine, D. Kuckling, Macromolecular Chemistry and Physics 219 (2017).
LibreCat | DOI
 

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