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36 Publications
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.
LibreCat
| DOI
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.
LibreCat
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2015 | Journal Article | LibreCat-ID: 25940 | 
A. Weiss, N. Reimer, N. Stock, M. Tiemann, and T. Wagner, “Surface-modified CAU-10 MOF materials as humidity sensors: impedance spectroscopic study on water uptake,” Physical Chemistry Chemical Physics, pp. 21634–21642, 2015, doi: 10.1039/c5cp01988e.
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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.
LibreCat
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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.
LibreCat
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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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2011 | Journal Article | LibreCat-ID: 41987
T. Hikov, C. A. Schröder, J. Cravillon, M. Wiebcke, and K. Huber, “In situ static and dynamic light scattering and scanning electron microscopy study on the crystallization of the dense zinc imidazolate framework ZIF-zni,” Phys. Chem. Chem. Phys., vol. 14, no. 2, pp. 511–521, 2011, doi: 10.1039/c1cp22855b.
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