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151 Publications
2015 | Journal Article | LibreCat-ID: 34307
Spura, Thomas, Hossam Elgabarty, and Thomas Kühne. “‘On-the-Fly’ Coupled Cluster Path-Integral Molecular Dynamics: Impact of Nuclear Quantum Effects on the Protonated Water Dimer.” Physical Chemistry Chemical Physics 17, no. 22 (2015): 14355–59. https://doi.org/10.1039/c4cp05192k.
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2015 | Journal Article | LibreCat-ID: 34309
Kessler, Jan, Hossam Elgabarty, Thomas Spura, Kristof Karhan, Pouya Partovi-Azar, Ali A. Hassanali, and Thomas Kühne. “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 119, no. 31 (2015): 10079–86. https://doi.org/10.1021/acs.jpcb.5b04185.
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2015 | Journal Article | LibreCat-ID: 41060
Atkins, Andrew J., Matthias Bauer, and Christoph R. Jacob. “High-Resolution X-Ray Absorption Spectroscopy of Iron Carbonyl Complexes.” Physical Chemistry Chemical Physics 17, no. 21 (2015): 13937–48. https://doi.org/10.1039/c5cp01045d.
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2014 | Journal Article | LibreCat-ID: 34311
Watermann, Tobias, Hossam Elgabarty, and Daniel Sebastiani. “Phycocyanobilin in Solution – a Solvent Triggered Molecular Switch.” Phys. Chem. Chem. Phys. 16, no. 13 (2014): 6146–52. https://doi.org/10.1039/c3cp54307b.
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2014 | Journal Article | LibreCat-ID: 39700
Mirzaei, Javad, Martin Urbanski, Heinz-Siegfried Kitzerow, and Torsten 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 15, no. 7 (2014): 1381–94. https://doi.org/10.1002/cphc.201301052.
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2014 | Journal Article | LibreCat-ID: 39699
Urbanski, Martin, Javad Mirzaei, Torsten Hegmann, and Heinz-Siegfried Kitzerow. “Nanoparticle Doping in Nematic Liquid Crystals: Distinction between Surface and Bulk Effects by Numerical Simulations.” ChemPhysChem 15, no. 7 (2014): 1395–1404. https://doi.org/10.1002/cphc.201301054.
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2014 | Journal Article | LibreCat-ID: 41211
Bauer, Matthias. “Configuration Determination of Transition Metal Complexes by Multiple Scattering EXAFS Analysis: A Case Study.” Zeitschrift Für Physikalische Chemie 228, no. 10–12 (2014): 1077–88. https://doi.org/10.1515/zpch-2014-0623.
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2014 | Journal Article | LibreCat-ID: 41213
Schoch, Roland, Heming Huang, Volker Schünemann, and Matthias Bauer. “A New Iron-Based Carbon Monoxide Oxidation Catalyst: Structure-Activity Correlation.” ChemPhysChem 15, no. 17 (2014): 3768–75. https://doi.org/10.1002/cphc.201402551.
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2014 | Journal Article | LibreCat-ID: 41057
Dehe, Daniel, Lei Wang, Melanie K. Müller, Gunder Dörr, Zhou Zhou, Robin N. Klupp-Taylor, Yu Sun, et al. “A Rhodium Triphenylphosphine Catalyst for Alkene Hydrogenation Supported on Neat Superparamagnetic Iron Oxide Nanoparticles.” ChemCatChem 7, no. 1 (2014): 127–36. https://doi.org/10.1002/cctc.201402615.
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2014 | Journal Article | LibreCat-ID: 41223
Werner, Thomas, Matthias Bauer, Abdol Majid Riahi, and Heiko Schramm. “A Catalytic System for the Activation of Diorganozinc Reagents.” European Journal of Organic Chemistry 2014, no. 22 (2014): 4876–83. https://doi.org/10.1002/ejoc.201402138.
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2014 | Journal Article | LibreCat-ID: 41228
Bräunlich, Irene, Antoni Sánchez-Ferrer, Matthias Bauer, Rahel Schepper, Philippe Knüsel, Julia Dshemuchadse, Raffaele Mezzenga, and Walter Caseri. “Polynuclear Iron(II)–Aminotriazole Spincrossover Complexes (Polymers) In Solution.” Inorganic Chemistry 53, no. 7 (2014): 3546–57. https://doi.org/10.1021/ic403035u.
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2014 | Journal Article | LibreCat-ID: 41225
Bauer, Matthias. “HERFD-XAS and Valence-to-Core-XES: New Tools to Push the Limits in Research with Hard X-Rays?” Phys. Chem. Chem. Phys. 16, no. 27 (2014): 13827–37. https://doi.org/10.1039/c4cp00904e.
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2014 | Journal Article | LibreCat-ID: 41977
Michels, Rolf, Günter Goerigk, Ulla Vainio, Jérémie Gummel, and Klaus 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 118, no. 27 (2014): 7618–29. https://doi.org/10.1021/jp502347b.
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2014 | Journal Article | LibreCat-ID: 38003
Werner, Thomas, Matthias Bauer, Abdol Majid Riahi, and Heiko Schramm. “A Catalytic System for the Activation of Diorganozinc Reagents.” European Journal of Organic Chemistry 2014, no. 22 (2014): 4876–83. https://doi.org/10.1002/ejoc.201402138.
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2013 | Journal Article | LibreCat-ID: 34312
Elgabarty, Hossam, Milian Wolff, Adrian Glaubitz, Dariush Hinderberger, and Daniel Sebastiani. “First Principles Calculation of Inhomogeneous Broadening in Solid-State Cw-EPR Spectroscopy.” Physical Chemistry Chemical Physics 15, no. 38 (2013). https://doi.org/10.1039/c3cp51938d.
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2013 | Journal Article | LibreCat-ID: 41235
Atkins, Andrew J., Matthias Bauer, and Christoph 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 15, no. 21 (2013). https://doi.org/10.1039/c3cp50999k.
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2013 | Journal Article | LibreCat-ID: 41980
Michels, Rolf, Yvonne Hertle, Thomas Hellweg, and Klaus Huber. “Kinetic and Structural Features of a Dyestuff Coaggregation Studied by Time-Resolved Static Light Scattering.” The Journal of Physical Chemistry B 117, no. 48 (2013): 15165–75. https://doi.org/10.1021/jp405206p.
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2013 | Journal Article | LibreCat-ID: 41981
Michels, Rolf, Thomas Sinemus, Jan Hoffmann, Bernhard Brutschy, and Klaus Huber. “Co-Aggregation of Two Anionic Azo Dyestuffs at a Well-Defined Stoichiometry.” The Journal of Physical Chemistry B 117, no. 28 (2013): 8611–19. https://doi.org/10.1021/jp403985m.
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2012 | Journal Article | LibreCat-ID: 32477
Korobeinichev, O.P., A.A. Paletsky, L.V. Kuibida, M.B. Gonchikzhapov, and I.K. Shundrina. “Reduction of Flammability of Ultrahigh-Molecular-Weight Polyethylene by Using Triphenyl Phosphate Additives.” Proceedings of the Combustion Institute 34, no. 2 (2012): 2699–2706. https://doi.org/10.1016/j.proci.2012.06.045.
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2012 | Journal Article | LibreCat-ID: 35341
Medronho, Bruno, Ulf Olsson, Claudia Schmidt, and Petrik Galvosas. “Transient and Steady-State Shear Banding in a Lamellar Phase as Studied by Rheo-NMR.” Zeitschrift Für Physikalische Chemie 226, no. 11–12 (2012): 1293–1314. https://doi.org/10.1524/zpch.2012.0313.
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