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166 Publications


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.
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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.
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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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2018 | Journal Article | LibreCat-ID: 41039
L. Burkhardt, C. Mueller, O. A. Groß, Y. Sun, H. Sitzmann, and M. Bauer, “The Bonding Situation in the Dinuclear Tetra-Hydrido Complex [{5CpFe}2(μ-H)4] Revisited by Hard X-Ray Spectroscopy,” Inorganic Chemistry, vol. 58, no. 10, pp. 6609–6618, 2018, doi: 10.1021/acs.inorgchem.8b03032.
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2018 | Journal Article | LibreCat-ID: 41834
M. Hansch, B. Hämisch, R. Schweins, S. Prévost, and K. Huber, “Liquid-liquid phase separation in dilute solutions of poly(styrene sulfonate) with multivalent cations: Phase diagrams, chain morphology, and impact of temperature,” The Journal of Chemical Physics, vol. 148, no. 1, Art. no. 014901, 2018, doi: 10.1063/1.5006618.
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2018 | Journal Article | LibreCat-ID: 41832
A. Urbanski et al., “Polyacrylates in the presence of an extraordinary monovalent cation—Solution behavior and metal nanoparticle formation,” The Journal of Chemical Physics, vol. 149, no. 16, Art. no. 163318, 2018, doi: 10.1063/1.5028182.
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2018 | Journal Article | LibreCat-ID: 41833
M. Hansch, H. P. Kaub, S. Deck, N. Carl, and K. Huber, “Reaction enthalpy from the binding of multivalent cations to anionic polyelectrolytes in dilute solutions,” The Journal of Chemical Physics, vol. 148, no. 11, Art. no. 114906, 2018, doi: 10.1063/1.5019877.
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2017 | Journal Article | LibreCat-ID: 32445
X. Yu et al., “Synthesis of Amphiphilic Block Copolymers Based on SKA by RAFT Polymerization,” Macromolecular Chemistry and Physics, vol. 219, no. 5, Art. no. 1700506, 2017, doi: 10.1002/macp.201700506.
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2017 | Journal Article | LibreCat-ID: 34304
L. K. Scarbath-Evers et al., “Structural heterogeneity in a parent ground-state structure of AnPixJg2 revealed by theory and spectroscopy,” Physical Chemistry Chemical Physics, vol. 19, no. 21, pp. 13882–13894, 2017, doi: 10.1039/c7cp01218g.
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2017 | Journal Article | LibreCat-ID: 34305
S. Pylaeva, K. L. Ivanov, M. Baldus, D. Sebastiani, and H. Elgabarty, “Molecular Mechanism of Overhauser Dynamic Nuclear Polarization in Insulating Solids,” The Journal of Physical Chemistry Letters, vol. 8, no. 10, pp. 2137–2142, 2017, doi: 10.1021/acs.jpclett.7b00561.
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2017 | Journal Article | LibreCat-ID: 39665
S. Knust, M. Wahle, and H.-S. Kitzerow, “Ferroelectric Liquid Crystals in Microcapillaries: Observation of Different Electro-optic Switching Mechanisms,” The Journal of Physical Chemistry B, vol. 121, no. 19, pp. 5110–5115, 2017, doi: 10.1021/acs.jpcb.7b00307.
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2017 | Journal Article | LibreCat-ID: 39663
J. Vollbrecht, S. Blazy, P. Dierks, S. Peurifoy, H. Bock, and H.-S. Kitzerow, “Electroluminescent and Optoelectronic Properties of OLEDs with Bay-Extended, Distorted Perylene Esters as Emitter Materials,” ChemPhysChem, vol. 18, no. 15, pp. 2024–2032, 2017, doi: 10.1002/cphc.201700502.
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2017 | Journal Article | LibreCat-ID: 37972
W. Li, M.-M. Wang, Y. Hu, and T. Werner, “B(C6F5)3-Catalyzed Regioselective Deuteration of Electron-Rich Aromatic and Heteroaromatic Compounds,” Organic Letters, vol. 19, no. 21, pp. 5768–5771, 2017, doi: 10.1021/acs.orglett.7b02701.
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2017 | Journal Article | LibreCat-ID: 37976
W. Li and T. Werner, “B(C6F5)3-Catalyzed Michael Reactions: Aromatic C–H as Nucleophiles,” Organic Letters, vol. 19, no. 10, pp. 2568–2571, 2017, doi: 10.1021/acs.orglett.7b00720.
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2017 | Journal Article | LibreCat-ID: 40587
E. Posada, N. Lopez Salas, R. J. Jiménez Riobóo, M. L. Ferrer, M. C. Gutiérrez, and F. del Monte, “Reline aqueous solutions behaving as liquid mixtures of H-bonded co-solvents: microphase segregation and formation of co-continuous structures as indicated by Brillouin and 1H NMR spectroscopies,” Physical Chemistry Chemical Physics, vol. 19, no. 26, pp. 17103–17110, 2017, doi: 10.1039/c7cp02180a.
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2016 | Journal Article | LibreCat-ID: 32480
O. P. Korobeinichev et al., “Structure of counterflow flame of ultrahigh-molecular-weight polyethylene with and without triphenylphosphate,” Proceedings of the Combustion Institute, vol. 36, no. 2, pp. 3279–3286, 2016, doi: 10.1016/j.proci.2016.06.117.
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2016 | Journal Article | LibreCat-ID: 37984
M.-L. Schirmer, A. Spannenberg, and T. Werner, “Highly functionalized alkenes produced from base-free organocatalytic Wittig reactions: (E)-3-benzylidenepyrrolidine-2,5-dione, (E)-3-benzylidene-1-methylpyrrolidine-2,5-dione and (E)-3-benzylidene-1-tert-butylpyrrolidine-2,5-dione,” Acta Crystallographica Section C Structural Chemistry, vol. 72, no. 6, pp. 504–508, 2016, doi: 10.1107/s2053229616008159.
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2016 | Journal Article | LibreCat-ID: 37985
J. Diebler, A. Spannenberg, and T. Werner, “Regio- and Stereoselective Synthesis of Dithiocarbonates under Ambient and Solvent-Free Conditions,” ChemCatChem, vol. 8, no. 12, pp. 2027–2030, 2016, doi: 10.1002/cctc.201600242.
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2016 | Journal Article | LibreCat-ID: 37981
J. Diebler, A. Spannenberg, and T. Werner, “Atom economical synthesis of di- and trithiocarbonates by the lithium tert-butoxide catalyzed addition of carbon disulfide to epoxides and thiiranes,” Organic and Biomolecular Chemistry, vol. 14, no. 31, pp. 7480–7489, 2016, doi: 10.1039/c6ob01081d.
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2016 | Journal Article | LibreCat-ID: 39686
B. Zhang and H.-S. Kitzerow, “Influence of Proton and Salt Concentration on the Chromonic Liquid Crystal Phase Diagram of Disodium Cromoglycate Solutions: Prospects and Limitations of a Host for DNA Nanostructures,” The Journal of Physical Chemistry B, vol. 120, no. 12, pp. 3250–3256, 2016, doi: 10.1021/acs.jpcb.6b01644.
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2015 | Journal Article | LibreCat-ID: 34307
T. Spura, H. Elgabarty, and T. Kühne, “‘On-the-fly’ coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer,” Physical Chemistry Chemical Physics, vol. 17, no. 22, pp. 14355–14359, 2015, doi: 10.1039/c4cp05192k.
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2015 | Journal Article | LibreCat-ID: 34309
J. Kessler et al., “Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations,” The Journal of Physical Chemistry B, vol. 119, no. 31, pp. 10079–10086, 2015, doi: 10.1021/acs.jpcb.5b04185.
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2015 | Journal Article | LibreCat-ID: 37994
M. Hoffmann, S. Deshmukh, and T. Werner, “Scope and Limitation of the Microwave-Assisted Catalytic Wittig Reaction,” European Journal of Organic Chemistry, vol. 2015, no. 20, pp. 4532–4543, 2015, doi: 10.1002/ejoc.201500310.
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2015 | Journal Article | LibreCat-ID: 37996
T. Werner, M. Hoffmann, and S. Deshmukh, “Phospholane-Catalyzed Wittig Reaction,” European Journal of Organic Chemistry, vol. 2015, no. 15, pp. 3286–3295, 2015, doi: 10.1002/ejoc.201500243.
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2015 | Journal Article | LibreCat-ID: 37995
M.-L. Schirmer, S. Adomeit, and T. Werner, “First Base-Free Catalytic Wittig Reaction,” Organic Letters, vol. 17, no. 12, pp. 3078–3081, 2015, doi: 10.1021/acs.orglett.5b01352.
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2015 | Journal Article | LibreCat-ID: 41060
A. J. Atkins, M. Bauer, and C. R. Jacob, “High-resolution X-ray absorption spectroscopy of iron carbonyl complexes,” Physical Chemistry Chemical Physics, vol. 17, no. 21, pp. 13937–13948, 2015, doi: 10.1039/c5cp01045d.
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2014 | Journal Article | LibreCat-ID: 34311
T. Watermann, H. Elgabarty, and D. Sebastiani, “Phycocyanobilin in solution – a solvent triggered molecular switch,” Phys. Chem. Chem. Phys., vol. 16, no. 13, pp. 6146–6152, 2014, doi: 10.1039/c3cp54307b.
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2014 | Journal Article | LibreCat-ID: 39700
J. Mirzaei, M. Urbanski, H.-S. Kitzerow, and T. Hegmann, “Synthesis of Liquid Crystal Silane-Functionalized Gold Nanoparticles and Their Effects on the Optical and Electro-Optic Properties of a Structurally Related Nematic Liquid Crystal,” ChemPhysChem, vol. 15, no. 7, pp. 1381–1394, 2014, doi: 10.1002/cphc.201301052.
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2014 | Journal Article | LibreCat-ID: 39699
M. Urbanski, J. Mirzaei, T. Hegmann, and H.-S. Kitzerow, “Nanoparticle Doping in Nematic Liquid Crystals: Distinction between Surface and Bulk Effects by Numerical Simulations,” ChemPhysChem, vol. 15, no. 7, pp. 1395–1404, 2014, doi: 10.1002/cphc.201301054.
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2014 | Journal Article | LibreCat-ID: 38003
T. Werner, M. Bauer, A. M. Riahi, and H. Schramm, “A Catalytic System for the Activation of Diorganozinc Reagents,” European Journal of Organic Chemistry, vol. 2014, no. 22, pp. 4876–4883, 2014, doi: 10.1002/ejoc.201402138.
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2014 | Journal Article | LibreCat-ID: 38001
T. Werner, M. Hoffmann, and S. Deshmukh, “First Microwave-Assisted Catalytic Wittig Reaction,” European Journal of Organic Chemistry, vol. 2014, no. 31, pp. 6873–6876, 2014, doi: 10.1002/ejoc.201403113.
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2014 | Journal Article | LibreCat-ID: 38002
T. Werner, M. Hoffmann, and S. Deshmukh, “First Enantioselective Catalytic Wittig Reaction,” European Journal of Organic Chemistry, vol. 2014, no. 30, pp. 6630–6633, 2014, doi: 10.1002/ejoc.201402941.
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2014 | Journal Article | LibreCat-ID: 37999
T. Werner, N. Tenhumberg, and H. Büttner, “Hydroxyl-Functionalized Imidazoles: Highly Active Additives for the Potassium Iodide-Catalyzed Synthesis of 1,3-Dioxolan-2-one Derivatives from Epoxides and Carbon Dioxide,” ChemCatChem, vol. 6, no. 12, pp. 3493–3500, 2014, doi: 10.1002/cctc.201402572.
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2014 | Journal Article | LibreCat-ID: 37998
H. Büttner, K. Lau, A. Spannenberg, and T. Werner, “Bifunctional One-Component Catalysts for the Addition of Carbon Dioxide to Epoxides,” ChemCatChem, vol. 7, no. 3, pp. 459–467, 2014, doi: 10.1002/cctc.201402816.
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2014 | Journal Article | LibreCat-ID: 41211
M. Bauer, “Configuration Determination of Transition Metal Complexes by Multiple Scattering EXAFS Analysis: A Case Study,” Zeitschrift für Physikalische Chemie, vol. 228, no. 10–12, pp. 1077–1088, 2014, doi: 10.1515/zpch-2014-0623.
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2014 | Journal Article | LibreCat-ID: 41213
R. Schoch, H. Huang, V. Schünemann, and M. Bauer, “A New Iron-Based Carbon Monoxide Oxidation Catalyst: Structure-Activity Correlation,” ChemPhysChem, vol. 15, no. 17, pp. 3768–3775, 2014, doi: 10.1002/cphc.201402551.
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2014 | Journal Article | LibreCat-ID: 41057
D. Dehe et al., “A Rhodium Triphenylphosphine Catalyst for Alkene Hydrogenation Supported on Neat Superparamagnetic Iron Oxide Nanoparticles,” ChemCatChem, vol. 7, no. 1, pp. 127–136, 2014, doi: 10.1002/cctc.201402615.
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2014 | Journal Article | LibreCat-ID: 41223
T. Werner, M. Bauer, A. M. Riahi, and H. Schramm, “A Catalytic System for the Activation of Diorganozinc Reagents,” European Journal of Organic Chemistry, vol. 2014, no. 22, pp. 4876–4883, 2014, doi: 10.1002/ejoc.201402138.
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2014 | Journal Article | LibreCat-ID: 41228
I. Bräunlich et al., “Polynuclear Iron(II)–Aminotriazole Spincrossover Complexes (Polymers) In Solution,” Inorganic Chemistry, vol. 53, no. 7, pp. 3546–3557, 2014, doi: 10.1021/ic403035u.
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2014 | Journal Article | LibreCat-ID: 41225
M. Bauer, “HERFD-XAS and valence-to-core-XES: new tools to push the limits in research with hard X-rays?,” Phys. Chem. Chem. Phys., vol. 16, no. 27, pp. 13827–13837, 2014, doi: 10.1039/c4cp00904e.
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2014 | Journal Article | LibreCat-ID: 41977
R. Michels, G. Goerigk, U. Vainio, J. Gummel, and K. Huber, “Coaggregation of Two Anionic Azo Dyestuffs: A Combined Static Light Scattering and Small-Angle X-ray Scattering Study,” The Journal of Physical Chemistry B, vol. 118, no. 27, pp. 7618–7629, 2014, doi: 10.1021/jp502347b.
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2013 | Journal Article | LibreCat-ID: 34312
H. Elgabarty, M. Wolff, A. Glaubitz, D. Hinderberger, and D. Sebastiani, “First principles calculation of inhomogeneous broadening in solid-state cw-EPR spectroscopy,” Physical Chemistry Chemical Physics, vol. 15, no. 38, Art. no. 16082, 2013, doi: 10.1039/c3cp51938d.
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2013 | Journal Article | LibreCat-ID: 41235
A. J. Atkins, M. Bauer, and C. R. Jacob, “The chemical sensitivity of X-ray spectroscopy: high energy resolution XANES versus X-ray emission spectroscopy of substituted ferrocenes,” Physical Chemistry Chemical Physics, vol. 15, no. 21, Art. no. 8095, 2013, doi: 10.1039/c3cp50999k.
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