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1252 Publications


2021 | Journal Article | LibreCat-ID: 33645
D. Ojha and T. Kühne, “Hydrogen bond dynamics of interfacial water molecules revealed from two-dimensional vibrational sum-frequency generation spectroscopy,” Scientific Reports, vol. 11, no. 1, Art. no. 2456, 2021, doi: 10.1038/s41598-021-81635-4.
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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: 33649
J. Kessler, F. Calcavecchia, and T. Kühne, “Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo,” Advanced Theory and Simulations, vol. 4, no. 4, Art. no. 2000269, 2021, doi: 10.1002/adts.202000269.
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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: 33655
M. Chugh, M. Jain, G. Wang, A. S. Nia, H. Mirhosseini, and T. Kühne, “A combinatorial study of electrochemical anion intercalation into graphite,” Materials Research Express, vol. 8, no. 8, Art. no. 085502, 2021, doi: 10.1088/2053-1591/ac1965.
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2021 | Journal Article | LibreCat-ID: 33658
P. Partovi-Azar and T. Kühne, “Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase,” Micromachines, vol. 12, no. 10, Art. no. 1212, 2021, doi: 10.3390/mi12101212.
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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: 33657
H. Mirhosseini, H. Tahmasbi, S. R. Kuchana, A. Ghasemi, and T. Kühne, “An automated approach for developing neural network interatomic potentials with FLAME,” Computational Materials Science, vol. 197, Art. no. 110567, 2021, doi: 10.1016/j.commatsci.2021.110567.
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2021 | Conference Paper | LibreCat-ID: 33654
V. Balos et al., “Ultrafast solvent-to-solvent and solvent-to-solute energy transfer driven by single-cycle THz electric fields,” in Terahertz Emitters, Receivers, and Applications XII, 2021, doi: 10.1117/12.2594143.
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2021 | Journal Article | LibreCat-ID: 33656
M. Wang, A. Ranjbar, T. Kühne, R. V. Belosludov, Y. Kawazoe, and Y. Liang, “A theoretical investigation of topological phase modulation in carbide MXenes: Role of image potential states,” Carbon, vol. 181, pp. 370–378, 2021, doi: 10.1016/j.carbon.2021.05.026.
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2021 | Journal Article | LibreCat-ID: 33659
A. Ranjbar, H. Mirhosseini, and T. Kühne, “On topological materials as photocatalysts for water splitting by visible light,” Journal of Physics: Materials, vol. 5, no. 1, Art. no. 015001, 2021, doi: 10.1088/2515-7639/ac363d.
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2021 | Journal Article | LibreCat-ID: 33681
M. A. R. da Silva et al., “Sustainable oxidation catalysis supported by light: Fe-poly (heptazine imide) as a heterogeneous single-atom photocatalyst,” Applied Catalysis B: Environmental, vol. 304, Art. no. 120965, 2021, doi: 10.1016/j.apcatb.2021.120965.
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2021 | Journal Article | LibreCat-ID: 33675
L. Mai et al., “Influence of different ester side groups in polymers on the vapor phase infiltration with trimethyl aluminum,” Dalton Transactions, vol. 51, no. 4, pp. 1384–1394, 2021, doi: 10.1039/d1dt03753f.
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2021 | Journal Article | LibreCat-ID: 35327
M. Wortmann et al., “Anomalous bulk diffusion of methylene diphenyl diisocyanate in silicone elastomer,” International Journal of Heat and Mass Transfer, vol. 177, Art. no. 121536, 2021, doi: 10.1016/j.ijheatmasstransfer.2021.121536.
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2021 | Journal Article | LibreCat-ID: 29189
T. Rogge, C. Vogelsang, and P. Pollmeier, “Wie erleben Lehramtsstudierende unterschiedliche Feedbacksituationen im Praxissemester? – Analysen auf Basis einer Interviewstudie zum Einsatz von Unterrichtsvideografien,” Seminar, vol. 4, pp. 91–105, 2021.
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2021 | Book Chapter | LibreCat-ID: 27071
P. Pollmeier and S. Fechner, “Zwischen den Stühlen? – Verknüpfung von Erfahrungen des Praxissemesters mit Theorien im Lehramtsstudium Chemie. Sukzessiven Kompetenzaufbau nach dem Praxissemester gestalten,” in Theorie und Praxis in der Lehrerbildung - Verhältnisbestimmungen aus der Perspektive von Fachdidaktiken, C. Caruso, C. Harteis, and A. Gröschner, Eds. Wiesbaden: Springer Fachmedien, 2021.
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2021 | Book Chapter | LibreCat-ID: 23733
P. Pollmeier and S. Fechner, “Förderung angehender Lehrkräfte im Umgang mit Evidenzen für den naturwissenschaftlichen Unterricht,” in Lehrkräftebildung neu gedacht. Ein Praxishandbuch für die Lehre in den Naturwissenschaften und deren Didaktiken, M. Kubsch, S. Sorge, J. Arnold, and N. Graulich, Eds. Waxmann, 2021, pp. 150–154.
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2021 | Journal Article | LibreCat-ID: 22538
M. T. de los Arcos de Pedro et al., “Review of infrared spectroscopy techniques for the determination of internal structure in thin SiO2 films,” Vibrational Spectroscopy, Art. no. 103256, 2021, doi: 10.1016/j.vibspec.2021.103256.
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2021 | Journal Article | LibreCat-ID: 22539
K. Bobzin, C. Kalscheuer, G. Grundmeier, M. T. de los Arcos de Pedro, S. Schwiderek, and M. Carlet, “Design of a TiAlON multilayer coating: Oxidation stability and deformation behavior,” Surface and Coatings Technology, Art. no. 127417, 2021, doi: 10.1016/j.surfcoat.2021.127417.
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2021 | Journal Article | LibreCat-ID: 22535
S. Knust et al., “In situ backside Raman spectroscopy of zinc oxide nanorods in an atmospheric‐pressure dielectric barrier discharge plasma,” Journal of Raman Spectroscopy, pp. 1237–1245, 2021, doi: 10.1002/jrs.6123.
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2021 | Journal Article | LibreCat-ID: 37946
T. Werner, A. Grandane, L. Pudnika, I. Domraceva, and R. Zalubovskis, “Base-Free Catalytic Wittig-/Cross-Coupling Reaction Sequence as Short Synthetic Strategy for the Preparation of Highly Functionalized Arylbenzoxepinones,” Synthesis, vol. 53, no. 19, pp. 3545–3554, 2021, doi: 10.1055/a-1509-6078.
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2021 | Journal Article | LibreCat-ID: 37947
J. Paradies et al., “Organische Chemie,” Nachrichten aus der Chemie, vol. 69, no. 3, pp. 38–68, 2021, doi: 10.1002/nadc.20214105947.
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2021 | Journal Article | LibreCat-ID: 37944
X. Liu and T. Werner, “Indirect reduction of CO2 and recycling of polymers by manganese-catalyzed transfer hydrogenation of amides, carbamates, urea derivatives, and polyurethanes,” Chemical Science, vol. 12, no. 31, pp. 10590–10597, 2021, doi: 10.1039/d1sc02663a.
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2021 | Journal Article | LibreCat-ID: 37945
J. Tönjes, L. Longwitz, and T. Werner, “Poly(methylhydrosiloxane) as a reductant in the catalytic base-free Wittig reaction,” Green Chemistry, vol. 23, no. 13, pp. 4852–4857, 2021, doi: 10.1039/d1gc00953b.
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2021 | Journal Article | LibreCat-ID: 37943
M. A. Wirth, L. Longwitz, M. Kanwischer, P. Gros, P. Leinweber, and T. Werner, “AMPA-15N – Synthesis and application as standard compound in traceable degradation studies of glyphosate,” Ecotoxicology and Environmental Safety, vol. 225, Art. no. 112768, 2021, doi: 10.1016/j.ecoenv.2021.112768.
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2021 | Dissertation | LibreCat-ID: 41006
S. Schlicher, Iron oxide catalysts for CO oxidation : from basic structure-activity-correlation to an advanced preparation strategy for highly active catalysts. 2021.
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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: 40998
S. T. Emmerling et al., “Olefin Metathesis in Confinement: Towards Covalent Organic Framework Scaffolds for Increased Macrocyclization Selectivity,” Chemistry – A European Journal, vol. 28, no. 8, 2021, doi: 10.1002/chem.202104108.
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2021 | Journal Article | LibreCat-ID: 41003
T. Reuter, A. Kruse, R. Schoch, S. Lochbrunner, M. Bauer, and K. Heinze, “Higher MLCT lifetime of carbene iron(<scp>ii</scp>) complexes by chelate ring expansion,” Chemical Communications, vol. 57, no. 61, pp. 7541–7544, 2021, doi: 10.1039/d1cc02173g.
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2021 | Journal Article | LibreCat-ID: 40997
P. Dierks, Y. Vukadinovic, and M. Bauer, “Photoactive iron complexes: more sustainable, but still a challenge,” Inorganic Chemistry Frontiers, vol. 9, no. 2, pp. 206–220, 2021, doi: 10.1039/d1qi01112j.
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2021 | Journal Article | LibreCat-ID: 41000
P. Ghosh, R. Schoch, M. Bauer, and A. Jacobi von Wangelin, “Selective Benzylic CH‐Borylations by Tandem Cobalt Catalysis,” Angewandte Chemie International Edition, vol. 61, no. 1, 2021, doi: 10.1002/anie.202110821.
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2021 | Journal Article | LibreCat-ID: 41013
K. Wissel et al., “Electrochemical Reduction and Oxidation of Ruddlesden–Popper-Type La2NiO3F2 within Fluoride-Ion Batteries,” Chemistry of Materials, vol. 33, no. 2, pp. 499–512, 2021, doi: 10.1021/acs.chemmater.0c01762.
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2021 | Journal Article | LibreCat-ID: 41010
F. A. Watt et al., “η            3            ‐Coordination and Functionalization of the 2‐Phosphaethynthiolate Anion at Lanthanum(III)**,” Angewandte Chemie International Edition, vol. 60, no. 17, pp. 9534–9539, 2021, doi: 10.1002/anie.202100559.
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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: 41011
U. Chakraborty, P. Bügel, L. Fritsch, F. Weigend, M. Bauer, and A. Jacobi von Wangelin, “Planar Iron Hydride Nanoclusters: Combined Spectroscopic and Theoretical Insights into Structures and Building Principles,” ChemistryOpen, vol. 10, no. 2, pp. 265–271, 2021, doi: 10.1002/open.202000307.
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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: 41817
B. Hämisch and K. Huber, “Mechanism and equilibrium thermodynamics of H- and J-aggregate formation from pseudo isocyanine chloride in water,” Soft Matter, vol. 17, no. 35, pp. 8140–8152, 2021, doi: 10.1039/d1sm00979f.
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2021 | Journal Article | LibreCat-ID: 41818
D. Hense et al., “Self-Assembled Fibrinogen Hydro- and Aerogels with Fibrin-like 3D Structures,” Biomacromolecules, vol. 22, no. 10, pp. 4084–4094, 2021, doi: 10.1021/acs.biomac.1c00489.
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2021 | Journal Article | LibreCat-ID: 41816
M. Wagner et al., “Multiresponsive Polymer Nanoparticles Based on Disulfide Bonds,” Macromolecules, vol. 54, no. 6, pp. 2899–2911, 2021, doi: 10.1021/acs.macromol.1c00299.
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2021 | Journal Article | LibreCat-ID: 41815
B. Hämisch, R. Pollak, S. Ebbinghaus, and K. Huber, “Thermodynamic Analysis of the Self‐Assembly of Pseudo Isocyanine Chloride in the Presence of Crowding Agents,” ChemSystemsChem, vol. 3, no. 3, 2021, doi: 10.1002/syst.202000051.
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2021 | Journal Article | LibreCat-ID: 25894
B. Schwind, J.-H. Smått, M. Tiemann, and C. Weinberger, “Modeling of gyroidal mesoporous CMK-8 and CMK-9 carbon nanostructures and their X-Ray diffraction patterns,” Microporous and Mesoporous Materials, Art. no. 110330, 2021, doi: 10.1016/j.micromeso.2020.110330.
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2021 | Journal Article | LibreCat-ID: 25897
T. de los Arcos et al., “Review of infrared spectroscopy techniques for the determination of internal structure in thin SiO2 films,” Vibrational Spectroscopy, Art. no. 103256, 2021, doi: 10.1016/j.vibspec.2021.103256.
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 25893 | OA
M. Tiemann and C. Weinberger, “Selective Modification of Hierarchical Pores and Surfaces in Nanoporous Materials,” Advanced Materials Interfaces, Art. no. 2001153, 2021, doi: 10.1002/admi.202001153.
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2021 | Journal Article | LibreCat-ID: 25896
R. Tischendorf et al., “Examination of the evolution of iron oxide nanoparticles in flame spray pyrolysis by tailored in situ particle sampling techniques,” Journal of Aerosol Science, Art. no. 105722, 2021, doi: 10.1016/j.jaerosci.2020.105722.
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2021 | Journal Article | LibreCat-ID: 22635
J. A. Garcia Diosa et al., “TiO2 nanoparticle coatings on glass surfaces for the selective trapping of leukemia cells from peripheral blood,” Journal of Biomedical Materials Research Part B: Applied Biomaterials, vol. 109, pp. 2142–2153, 2021, doi: 10.1002/jbm.b.34862.
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2021 | Journal Article | LibreCat-ID: 25892
F. Steinke, A. Javed, S. Wöhlbrandt, M. Tiemann, and N. Stock, “New isoreticular phosphonate MOFs based on a tetratopic linker,” Dalton Transactions, pp. 13572–13579, 2021, doi: 10.1039/d1dt02610k.
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2021 | Journal Article | LibreCat-ID: 39653
C. Wiebeler, J. Vollbrecht, A. Neuba, H.-S. Kitzerow, and S. Schumacher, “Unraveling the electrochemical and spectroscopic properties of neutral and negatively charged perylene tetraethylesters,” Scientific Reports, vol. 11, no. 1, Art. no. 16097, 2021, doi: 10.1038/s41598-021-95551-0.
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2021 | Journal Article | LibreCat-ID: 45001
E. Roos and M. Brehm, “A Force Field for Bio-Polymers in Ionic Liquids (BILFF) – Part 1: [EMIm][OAc] / Water Mixtures,” Phys. Chem. Chem. Phys., vol. 23, pp. 1242–1253, 2021, doi: 10.1039/D0CP04537C.
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2021 | Journal Article | LibreCat-ID: 45004
M. Brehm and M. Thomas, “Optimized Atomic Partial Charges and Radii Defined by Radical Voronoi Tessellation of Bulk Phase Simulations,” Molecules, vol. 26 (7), p. 1875, 2021, doi: 10.3390/molecules26071875.
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2021 | Journal Article | LibreCat-ID: 45005
S. Roy et al., “Unraveling Local Structure of Molten Salts via X-Ray Scattering, Raman Spectroscopy, and ab initio Molecular Dynamics,” J. Phys. Chem. B, vol. 125 (22), pp. 5971–5982, 2021, doi: 10.1021/acs.jpcb.1c03786.
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2021 | Journal Article | LibreCat-ID: 45006
A. Triolo et al., “Liquid Structure and Dynamics in the Choline Acetate:Urea 1:2 Deep Eutectic Solvent,” J. Chem. Phys., vol. 154, p. 244501, 2021, doi: 10.1063/5.0054048.
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2021 | Journal Article | LibreCat-ID: 45003
M.-A. Codescu, M. Weiß, M. Brehm, O. Kornilov, D. Sebastiani, and E. T. J. Nibbering, “Switching Between Proton Vacancy and Excess Proton Transfer Pathways in the Reaction Between 7-Hydroxyquinoline and Formate,” J. Phys. Chem. A, vol. 125 (9), pp. 1845–1859, 2021, doi: 10.1021/acs.jpca.0c10191.
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2021 | Journal Article | LibreCat-ID: 45000
M. Mukherjee, D. Tripathi, M. Brehm, C. Riplinger, and A. K. Dutta, “Efficient EOM-CC-Based Protocol for the Calculation of Electron Affinity of Solvated Nucleobases: Uracil as a Case Study,” J. Chem. Theory Comput., vol. 17 (1), pp. 105–116, 2021, doi: 10.1021/acs.jctc.0c00655.
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2021 | Journal Article | LibreCat-ID: 45002
A. Triolo, F. L. Celso, M. Brehm, V. D. Lisio, and O. Russina, “Liquid Structure of a Choline Chloride-Water Natural Deep Eutectic Solvent: A Molecular Dynamics Characterization,” J. Mol. Liq., vol. 331, p. 115750, 2021, doi: 10.1016/j.molliq.2021.115750.
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2021 | Journal Article | LibreCat-ID: 24566 | OA
K. Engelkemeier, A. Sun, D. Voswinkel, O. Grydin, M. Schaper, and W. Bremser, “Zinc Anodizing: Structural Diversity of Anodic Zinc Oxide Controlled by the Type of Electrolyte,” ChemElectroChem, pp. 2155–2168, 2021, doi: 10.1002/celc.202100216.
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2021 | Conference Paper | LibreCat-ID: 33545
J. Elsner, C. Tenberge, and S. Fechner, “Unterstützung des Modellierungsprozesses durch Analogiebildung im Sachunterricht,” in Naturwissenschaftlicher Unterricht und Lehrerbildung im Umbruch?, 2021, vol. 41, pp. 609–612.
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2021 | Journal Article | LibreCat-ID: 41007
P. Dierks et al., “Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(<scp>ii</scp>) complexes,” Chemical Communications, vol. 57, no. 54, pp. 6640–6643, 2021, doi: 10.1039/d1cc01716k.
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2021 | Book Chapter | LibreCat-ID: 29936
A. Ramaswami, T. Kenter, T. Kühne, and C. Plessl, “Evaluating the Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance Computing,” in Applied Reconfigurable Computing. Architectures, Tools, and Applications, Cham: Springer International Publishing, 2021.
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2021 | Journal Article | LibreCat-ID: 41001
F. Ziegler et al., “Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes,” ACS Catalysis, vol. 11, no. 18, pp. 11570–11578, 2021, doi: 10.1021/acscatal.1c03057.
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2021 | Journal Article | LibreCat-ID: 40999
P. K. R. Panyam et al., “Rh(I)/(III)‐N‐Heterocyclic Carbene Complexes: Effect of Steric Confinement Upon Immobilization on Regio‐ and Stereoselectivity in the Hydrosilylation of Alkynes,” Chemistry – A European Journal, vol. 27, no. 68, pp. 17220–17229, 2021, doi: 10.1002/chem.202103099.
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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: 30216
M. Huber-Gedert et al., “Fundamental Characterization, Photophysics and Photocatalysis of a Base Metal Iron(II)‐Cobalt(III) Dyad,” Chemistry – A European Journal, vol. 27, no. 38, pp. 9905–9918, 2021, doi: 10.1002/chem.202100766.
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2020 | Journal Article | LibreCat-ID: 25301
B. Scherer, I. L. Kottenstedde, W. Bremser, and F.-M. Matysik, “Analytical characterization of polyamide 11 used in the context of selective laser sintering: Physico-chemical correlations,” Polymer Testing, Art. no. 106786, 2020, doi: 10.1016/j.polymertesting.2020.106786.
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2020 | Journal Article | LibreCat-ID: 19679
D. Ojha and T. D. Kühne, “‘On-The-Fly’ Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface,” Molecules, vol. 25, 2020.
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2020 | Journal Article | LibreCat-ID: 19680
T. Kühne, J. J. Heske, and E. Prodan, “Disordered crystals from first principles II: Transport coefficients,” Annals of Physics, vol. 421, p. 168290, 2020.
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2020 | Journal Article | LibreCat-ID: 19681
M. A. Salem and T. D. Kühne, “Insight from energy decomposition analysis on a hydrogen-bond-mediated mechanism for on-water catalysis,” Molecular Physics, pp. 1–6, 2020.
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2020 | Journal Article | LibreCat-ID: 19823
A. Elizabeth et al., “Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films,” Acta Materialia, vol. 200, 2020.
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2020 | Journal Article | LibreCat-ID: 21239
S. K. Sahoo, J. J. Heske, M. Antonietti, Q. Qin, M. Oschatz, and T. Kühne, “Electrochemical N2 Reduction to Ammonia Using Single Au/Fe Atoms Supported on Nitrogen-Doped Porous Carbon,” ACS Applied Energy Materials, vol. 3, no. 10, pp. 10061–10069, 2020.
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2020 | Journal Article | LibreCat-ID: 17375
J. Zhou et al., “Modulation of nearly free electron states in hydroxyl-functionalized MXenes: a first-principles study,” J. Mater. Chem. C, vol. 8, pp. 5211–5221, 2020.
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2020 | Journal Article | LibreCat-ID: 17379
S. Kumar Sahoo et al., “On the Possibility of Helium Adsorption in Nitrogen Doped Graphitic Materials,” Scientific Reports, vol. 10, no. 1, 2020.
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2020 | Journal Article | LibreCat-ID: 17381
H. Elgabarty et al., “Energy transfer within the hydrogen bonding network of water following resonant terahertz excitation,” Science Advances, vol. 6, no. 17, 2020.
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2020 | Journal Article | LibreCat-ID: 17386
T. D. Kühne et al., “CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations,” The Journal of Chemical Physics, vol. 152, no. 19, p. 194103, 2020.
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2020 | Journal Article | LibreCat-ID: 23599
V. Savikhin et al., “GIWAXS-SIIRkit: scattering intensity, indexing and refraction calculation toolkit for grazing-incidence wide-angle X-ray scattering of organic materials,” Journal of Applied Crystallography, vol. 53, pp. 1108–1129, 2020, doi: 10.1107/s1600576720005476.
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2020 | Journal Article | LibreCat-ID: 23600
J. Gebers et al., “Crystallization and Organic Field‐Effect Transistor Performance of a Hydrogen‐Bonded Quaterthiophene,” Chemistry – A European Journal, vol. 26, pp. 10265–10275, 2020, doi: 10.1002/chem.201904562.
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2020 | Journal Article | LibreCat-ID: 23601
M. Abdelsamie, J. Xu, K. Bruening, C. J. Tassone, H.-G. Steinrück, and M. F. Toney, “Impact of Processing on Structural and Compositional Evolution in Mixed Metal Halide Perovskites during Film Formation,” Advanced Functional Materials, vol. 30, p. 2001752, 2020, doi: 10.1002/adfm.202001752.
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2020 | Journal Article | LibreCat-ID: 23602
T. R. Tanim et al., “Heterogeneous Behavior of Lithium Plating during Extreme Fast Charging,” Cell Reports Physical Science, vol. 1, p. 100114, 2020, doi: 10.1016/j.xcrp.2020.100114.
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2020 | Journal Article | LibreCat-ID: 23603
S. E. Bone, H.-G. Steinrück, and M. F. Toney, “Advanced Characterization in Clean Water Technologies,” Joule, vol. 4, pp. 1637–1659, 2020, doi: 10.1016/j.joule.2020.06.020.
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2020 | Journal Article | LibreCat-ID: 23604
R. M. Kasse, N. R. Geise, J. S. Ko, J. Nelson Weker, H.-G. Steinrück, and M. F. Toney, “Understanding additive controlled lithium morphology in lithium metal batteries,” Journal of Materials Chemistry A, vol. 8, pp. 16960–16972, 2020, doi: 10.1039/d0ta06020h.
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2020 | Journal Article | LibreCat-ID: 23605
B. D. Paulsen et al., “Time‐Resolved Structural Kinetics of an Organic Mixed Ionic–Electronic Conductor,” Advanced Materials, vol. 32, p. 2003404, 2020, doi: 10.1002/adma.202003404.
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2020 | Journal Article | LibreCat-ID: 23606
H.-G. Steinrück et al., “Interfacial Speciation Determines Interfacial Chemistry: X‐ray‐Induced Lithium Fluoride Formation from Water‐in‐salt Electrolytes on Solid Surfaces,” Angewandte Chemie International Edition, vol. 59, pp. 23180–23187, 2020, doi: 10.1002/anie.202007745.
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2020 | Journal Article | LibreCat-ID: 23607
H.-G. Steinrück et al., “Concentration and velocity profiles in a polymeric lithium-ion battery electrolyte,” Energy & Environmental Science, vol. 13, pp. 4312–4321, 2020, doi: 10.1039/d0ee02193h.
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2020 | Journal Article | LibreCat-ID: 23608
A. Prihoda et al., “Interface between Water–Solvent Mixtures and a Hydrophobic Surface,” Langmuir, vol. 36, pp. 12077–12086, 2020, doi: 10.1021/acs.langmuir.0c02745.
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2020 | Journal Article | LibreCat-ID: 23617
H. Chen et al., “Tortuosity Effects in Lithium-Metal Host Anodes,” Joule, vol. 4, pp. 938–952, 2020, doi: 10.1016/j.joule.2020.03.008.
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2020 | Journal Article | LibreCat-ID: 23618
H.-G. Steinrück, C. Cao, G. M. Veith, and M. F. Toney, “Toward quantifying capacity losses due to solid electrolyte interphase evolution in silicon thin film batteries,” The Journal of Chemical Physics, vol. 152, p. 084702, 2020, doi: 10.1063/1.5142643.
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2020 | Journal Article | LibreCat-ID: 23747
T. Witte, S. Hanemann, H. Sommerfeld, K. Temmen, and S. Fechner, “Selbstbau eines digitalen Low-Cost-Fotometers für den Chemieunterricht,” CHEMKON, vol. 27, no. 4, pp. 193–198, 2020.
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2020 | Journal Article | LibreCat-ID: 18534
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, pp. 8762–8774, 2020.
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2020 | Journal Article | LibreCat-ID: 22644
M. Hanke, A. Gonzalez Orive, G. Grundmeier, and A. Keller, “Effect of DNA Origami Nanostructures on hIAPP Aggregation,” Nanomaterials, vol. 10, p. 2200, 2020.
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2020 | Journal Article | LibreCat-ID: 22645
S. Ramakrishnan, S. Subramaniam, C. Kielar, G. Grundmeier, A. F. Stewart, and A. Keller, “Protein-Assisted Room-Temperature Assembly of Rigid, Immobile Holliday Junctions and Hierarchical DNA Nanostructures,” Molecules, vol. 25, p. 5099, 2020.
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2020 | Journal Article | LibreCat-ID: 22646
Y. Xin, S. Martinez Rivadeneira, G. Grundmeier, M. Castro, and A. Keller, “Self-assembly of highly ordered DNA origami lattices at solid-liquid interfaces by controlling cation binding and exchange,” Nano Research, vol. 13, pp. 3142–3150, 2020.
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2020 | Journal Article | LibreCat-ID: 22647
C. Kielar, S. Zhu, G. Grundmeier, and A. Keller, “Quantitative Assessment of Tip Effects in Single‐Molecule High‐Speed Atomic Force Microscopy Using DNA Origami Substrates,” Angewandte Chemie International Edition, vol. 59, pp. 14336–14341, 2020.
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2020 | Journal Article | LibreCat-ID: 22648
Y. Xin, X. Ji, G. Grundmeier, and A. Keller, “Dynamics of lattice defects in mixed DNA origami monolayers,” Nanoscale, vol. 12, pp. 9733–9743, 2020.
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2020 | Journal Article | LibreCat-ID: 22649
Y. Xin et al., “Cryopreservation of DNA Origami Nanostructures,” Small, vol. 16, p. 1905959, 2020.
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2020 | Journal Article | LibreCat-ID: 22650
A. Keller and V. Linko, “Challenges and Perspectives of DNA Nanostructures in Biomedicine,” Angewandte Chemie International Edition, vol. 59, pp. 15818–15833, 2020.
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2020 | Journal Article | LibreCat-ID: 22651
A. Keller and G. Grundmeier, “Amyloid aggregation at solid-liquid interfaces: Perspectives of studies using model surfaces,” Applied Surface Science, vol. 506, p. 144991, 2020.
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2020 | Journal Article | LibreCat-ID: 22684
J. Huang et al., “Arranging Small Molecules with Subnanometer Precision on DNA Origami Substrates for the Single‐Molecule Investigation of Protein–Ligand Interactions,” Small Structures, vol. 1, p. 2000038, 2020.
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2020 | Dissertation | LibreCat-ID: 22689
D. Meinderink, Molecular adhesion science and engineering of nanostructured poly(acrylic acid)/metal oxide interfaces. 2020.
LibreCat | DOI
 

2020 | Journal Article | LibreCat-ID: 22696
R. Grothe, S. Knust, D. Meinderink, M. Voigt, A. G. Orive, and G. Grundmeier, “Spray pyrolysis of thin adhesion-promoting ZnO films on ZnMgAl coated steel,” Surface and Coatings Technology, 2020.
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2020 | Journal Article | LibreCat-ID: 19844
A. Elizabeth et al., “ Oxidation/reduction cycles and their reversible effect on the dipole formation at CuInSe2 surfaces,” Phys. Rev. Materials, vol. 4, p. 063401, 2020, doi: 10.1103/PhysRevMaterials.4.063401.
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2020 | Journal Article | LibreCat-ID: 21112
S. H. Mirhosseini, R. Kormath Madam Raghupathy, S. K. Sahoo, H. Wiebeler, M. Chugh, and T. Kühne, “In silico investigation of Cu(In,Ga)Se2-based solar cells,” Phys. Chem. Chem. Phys., vol. 22, pp. 26682–26701, 2020, doi: 10.1039/D0CP04712K.
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2020 | Journal Article | LibreCat-ID: 21240
M. Yu et al., “A High-Rate Two-Dimensional Polyarylimide Covalent Organic Framework Anode for Aqueous Zn-Ion Energy Storage Devices,” Journal of the American Chemical Society, vol. 142, no. 46, pp. 19570–19578, 2020, doi: 10.1021/jacs.0c07992.
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