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151 Publications
2015 | Journal Article | LibreCat-ID: 34307
Spura, T., Elgabarty, H., & Kühne, T. (2015). “On-the-fly” coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer. Physical Chemistry Chemical Physics, 17(22), 14355–14359. https://doi.org/10.1039/c4cp05192k
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 34309
Kessler, J., Elgabarty, H., Spura, T., Karhan, K., Partovi-Azar, P., Hassanali, A. A., & Kühne, T. (2015). 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(31), 10079–10086. https://doi.org/10.1021/acs.jpcb.5b04185
LibreCat
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2015 | Journal Article | LibreCat-ID: 41060
Atkins, A. J., Bauer, M., & Jacob, C. R. (2015). High-resolution X-ray absorption spectroscopy of iron carbonyl complexes. Physical Chemistry Chemical Physics, 17(21), 13937–13948. https://doi.org/10.1039/c5cp01045d
LibreCat
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2014 | Journal Article | LibreCat-ID: 34311
Watermann, T., Elgabarty, H., & Sebastiani, D. (2014). Phycocyanobilin in solution – a solvent triggered molecular switch. Phys. Chem. Chem. Phys., 16(13), 6146–6152. https://doi.org/10.1039/c3cp54307b
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2014 | Journal Article | LibreCat-ID: 39700
Mirzaei, J., Urbanski, M., Kitzerow, H.-S., & Hegmann, T. (2014). 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(7), 1381–1394. https://doi.org/10.1002/cphc.201301052
LibreCat
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2014 | Journal Article | LibreCat-ID: 39699
Urbanski, M., Mirzaei, J., Hegmann, T., & Kitzerow, H.-S. (2014). Nanoparticle Doping in Nematic Liquid Crystals: Distinction between Surface and Bulk Effects by Numerical Simulations. ChemPhysChem, 15(7), 1395–1404. https://doi.org/10.1002/cphc.201301054
LibreCat
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2014 | Journal Article | LibreCat-ID: 41211
Bauer, M. (2014). Configuration Determination of Transition Metal Complexes by Multiple Scattering EXAFS Analysis: A Case Study. Zeitschrift Für Physikalische Chemie, 228(10–12), 1077–1088. https://doi.org/10.1515/zpch-2014-0623
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2014 | Journal Article | LibreCat-ID: 41213
Schoch, R., Huang, H., Schünemann, V., & Bauer, M. (2014). A New Iron-Based Carbon Monoxide Oxidation Catalyst: Structure-Activity Correlation. ChemPhysChem, 15(17), 3768–3775. https://doi.org/10.1002/cphc.201402551
LibreCat
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2014 | Journal Article | LibreCat-ID: 41057
Dehe, D., Wang, L., Müller, M. K., Dörr, G., Zhou, Z., Klupp-Taylor, R. N., Sun, Y., Ernst, S., Hartmann, M., Bauer, M., & Thiel, W. R. (2014). A Rhodium Triphenylphosphine Catalyst for Alkene Hydrogenation Supported on Neat Superparamagnetic Iron Oxide Nanoparticles. ChemCatChem, 7(1), 127–136. https://doi.org/10.1002/cctc.201402615
LibreCat
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2014 | Journal Article | LibreCat-ID: 41223
Werner, T., Bauer, M., Riahi, A. M., & Schramm, H. (2014). A Catalytic System for the Activation of Diorganozinc Reagents. European Journal of Organic Chemistry, 2014(22), 4876–4883. https://doi.org/10.1002/ejoc.201402138
LibreCat
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2014 | Journal Article | LibreCat-ID: 41228
Bräunlich, I., Sánchez-Ferrer, A., Bauer, M., Schepper, R., Knüsel, P., Dshemuchadse, J., Mezzenga, R., & Caseri, W. (2014). Polynuclear Iron(II)–Aminotriazole Spincrossover Complexes (Polymers) In Solution. Inorganic Chemistry, 53(7), 3546–3557. https://doi.org/10.1021/ic403035u
LibreCat
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2014 | Journal Article | LibreCat-ID: 41225
Bauer, M. (2014). HERFD-XAS and valence-to-core-XES: new tools to push the limits in research with hard X-rays? Phys. Chem. Chem. Phys., 16(27), 13827–13837. https://doi.org/10.1039/c4cp00904e
LibreCat
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2014 | Journal Article | LibreCat-ID: 41977
Michels, R., Goerigk, G., Vainio, U., Gummel, J., & Huber, K. (2014). 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(27), 7618–7629. https://doi.org/10.1021/jp502347b
LibreCat
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2014 | Journal Article | LibreCat-ID: 38003
Werner, T., Bauer, M., Riahi, A. M., & Schramm, H. (2014). A Catalytic System for the Activation of Diorganozinc Reagents. European Journal of Organic Chemistry, 2014(22), 4876–4883. https://doi.org/10.1002/ejoc.201402138
LibreCat
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2013 | Journal Article | LibreCat-ID: 34312
Elgabarty, H., Wolff, M., Glaubitz, A., Hinderberger, D., & Sebastiani, D. (2013). First principles calculation of inhomogeneous broadening in solid-state cw-EPR spectroscopy. Physical Chemistry Chemical Physics, 15(38), Article 16082. https://doi.org/10.1039/c3cp51938d
LibreCat
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2013 | Journal Article | LibreCat-ID: 41235
Atkins, A. J., Bauer, M., & Jacob, C. R. (2013). The chemical sensitivity of X-ray spectroscopy: high energy resolution XANES versus X-ray emission spectroscopy of substituted ferrocenes. Physical Chemistry Chemical Physics, 15(21), Article 8095. https://doi.org/10.1039/c3cp50999k
LibreCat
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2013 | Journal Article | LibreCat-ID: 41980
Michels, R., Hertle, Y., Hellweg, T., & Huber, K. (2013). Kinetic and Structural Features of a Dyestuff Coaggregation Studied by Time-Resolved Static Light Scattering. The Journal of Physical Chemistry B, 117(48), 15165–15175. https://doi.org/10.1021/jp405206p
LibreCat
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2013 | Journal Article | LibreCat-ID: 41981
Michels, R., Sinemus, T., Hoffmann, J., Brutschy, B., & Huber, K. (2013). Co-Aggregation of Two Anionic Azo Dyestuffs at a Well-Defined Stoichiometry. The Journal of Physical Chemistry B, 117(28), 8611–8619. https://doi.org/10.1021/jp403985m
LibreCat
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2012 | Journal Article | LibreCat-ID: 32477
Korobeinichev, O. P., Paletsky, A. A., Kuibida, L. V., Gonchikzhapov, M. B., & Shundrina, I. K. (2012). Reduction of flammability of ultrahigh-molecular-weight polyethylene by using triphenyl phosphate additives. Proceedings of the Combustion Institute, 34(2), 2699–2706. https://doi.org/10.1016/j.proci.2012.06.045
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2012 | Journal Article | LibreCat-ID: 35341
Medronho, B., Olsson, U., Schmidt, C., & Galvosas, P. (2012). Transient and Steady-State Shear Banding in a Lamellar Phase as Studied by Rheo-NMR. Zeitschrift Für Physikalische Chemie, 226(11–12), 1293–1314. https://doi.org/10.1524/zpch.2012.0313
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