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36 Publications
2015 | Journal Article | LibreCat-ID: 34307
“On-the-fly” coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer
T. Spura, H. Elgabarty, T. Kühne, Physical Chemistry Chemical Physics 17 (2015) 14355–14359.
LibreCat
| DOI
T. Spura, H. Elgabarty, T. Kühne, Physical Chemistry Chemical Physics 17 (2015) 14355–14359.
2015 | Journal Article | LibreCat-ID: 41060
High-resolution X-ray absorption spectroscopy of iron carbonyl complexes
A.J. Atkins, M. Bauer, C.R. Jacob, Physical Chemistry Chemical Physics 17 (2015) 13937–13948.
LibreCat
| DOI
A.J. Atkins, M. Bauer, C.R. Jacob, Physical Chemistry Chemical Physics 17 (2015) 13937–13948.
2015 | Journal Article | LibreCat-ID: 25940 | 
Surface-modified CAU-10 MOF materials as humidity sensors: impedance spectroscopic study on water uptake
A. Weiss, N. Reimer, N. Stock, M. Tiemann, T. Wagner, Physical Chemistry Chemical Physics (2015) 21634–21642.
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| DOI
| Download (ext.)
A. Weiss, N. Reimer, N. Stock, M. Tiemann, T. Wagner, Physical Chemistry Chemical Physics (2015) 21634–21642.
2014 | Journal Article | LibreCat-ID: 7485
Optical spectrum, perceived color, refractive index, and non-adiabatic dynamics of the photochromic diarylethene CMTE
C. Wiebeler, C.A. Bader, C. Meier, S. Schumacher, Phys. Chem. Chem. Phys. 16 (2014) 14531–14538.
LibreCat
| DOI
C. Wiebeler, C.A. Bader, C. Meier, S. Schumacher, Phys. Chem. Chem. Phys. 16 (2014) 14531–14538.
2014 | Journal Article | LibreCat-ID: 34311
Phycocyanobilin in solution – a solvent triggered molecular switch
T. Watermann, H. Elgabarty, D. Sebastiani, Phys. Chem. Chem. Phys. 16 (2014) 6146–6152.
LibreCat
| DOI
T. Watermann, H. Elgabarty, D. Sebastiani, Phys. Chem. Chem. Phys. 16 (2014) 6146–6152.
2014 | Journal Article | LibreCat-ID: 41225
HERFD-XAS and valence-to-core-XES: new tools to push the limits in research with hard X-rays?
M. Bauer, Phys. Chem. Chem. Phys. 16 (2014) 13827–13837.
LibreCat
| DOI
M. Bauer, Phys. Chem. Chem. Phys. 16 (2014) 13827–13837.
2013 | Journal Article | LibreCat-ID: 34312
First principles calculation of inhomogeneous broadening in solid-state cw-EPR spectroscopy
H. Elgabarty, M. Wolff, A. Glaubitz, D. Hinderberger, D. Sebastiani, Physical Chemistry Chemical Physics 15 (2013).
LibreCat
| DOI
H. Elgabarty, M. Wolff, A. Glaubitz, D. Hinderberger, D. Sebastiani, Physical Chemistry Chemical Physics 15 (2013).
2013 | Journal Article | LibreCat-ID: 41235
The chemical sensitivity of X-ray spectroscopy: high energy resolution XANES versus X-ray emission spectroscopy of substituted ferrocenes
A.J. Atkins, M. Bauer, C.R. Jacob, Physical Chemistry Chemical Physics 15 (2013).
LibreCat
| DOI
A.J. Atkins, M. Bauer, C.R. Jacob, Physical Chemistry Chemical Physics 15 (2013).
2012 | Journal Article | LibreCat-ID: 15872
Dynamics of fluorescence depolarisation in star-shaped oligofluorene-truxene molecules
N.A. Montgomery, G.J. Hedley, A. Ruseckas, J.-C. Denis, S. Schumacher, A.L. Kanibolotsky, P.J. Skabara, I. Galbraith, G.A. Turnbull, I.D.W. Samuel, Physical Chemistry Chemical Physics (2012).
LibreCat
| DOI
N.A. Montgomery, G.J. Hedley, A. Ruseckas, J.-C. Denis, S. Schumacher, A.L. Kanibolotsky, P.J. Skabara, I. Galbraith, G.A. Turnbull, I.D.W. Samuel, Physical Chemistry Chemical Physics (2012).
2011 | Journal Article | LibreCat-ID: 41987
In situ static and dynamic light scattering and scanning electron microscopy study on the crystallization of the dense zinc imidazolate framework ZIF-zni
T. Hikov, C.A. Schröder, J. Cravillon, M. Wiebcke, K. Huber, Phys. Chem. Chem. Phys. 14 (2011) 511–521.
LibreCat
| DOI
T. Hikov, C.A. Schröder, J. Cravillon, M. Wiebcke, K. Huber, Phys. Chem. Chem. Phys. 14 (2011) 511–521.
2011 | Journal Article | LibreCat-ID: 41991
Self-localization of polyacrylic acid molecules on polar ZnO(0001)–Zn surfaces
C. Kunze, M. Valtiner, R. Michels, K. Huber, G. Grundmeier, Physical Chemistry Chemical Physics 13 (2011).
LibreCat
| DOI
C. Kunze, M. Valtiner, R. Michels, K. Huber, G. Grundmeier, Physical Chemistry Chemical Physics 13 (2011).
2010 | Journal Article | LibreCat-ID: 41266
X-Ray absorption in homogeneous catalysis research: the iron-catalyzed Michael addition reaction by XAS, RIXS and multi-dimensional spectroscopy
M. Bauer, C. Gastl, Physical Chemistry Chemical Physics 12 (2010).
LibreCat
| DOI
M. Bauer, C. Gastl, Physical Chemistry Chemical Physics 12 (2010).
2010 | Journal Article | LibreCat-ID: 41264
Adsorption of oxygen on copper in Cu/HZSM5 zeolites
A.B. Ene, M. Bauer, T. Archipov, E. Roduner, Physical Chemistry Chemical Physics 12 (2010).
LibreCat
| DOI
A.B. Ene, M. Bauer, T. Archipov, E. Roduner, Physical Chemistry Chemical Physics 12 (2010).
2008 | Journal Article | LibreCat-ID: 41278
Platinum species in the pores of NaX, NaY and NaA zeolites studied using EPR, XAS and FTIR spectroscopies
Y. Akdogan, C. Vogt, M. Bauer, H. Bertagnolli, L. Giurgiu, E. Roduner, Physical Chemistry Chemical Physics 10 (2008).
LibreCat
| DOI
Y. Akdogan, C. Vogt, M. Bauer, H. Bertagnolli, L. Giurgiu, E. Roduner, Physical Chemistry Chemical Physics 10 (2008).
2005 | Journal Article | LibreCat-ID: 41287
Investigations into the metal species of the homogeneous iron(iii) catalyzed Michael addition reactions
M. Bauer, T. Kauf, J. Christoffers, H. Bertagnolli, Physical Chemistry Chemical Physics 7 (2005).
LibreCat
| DOI
M. Bauer, T. Kauf, J. Christoffers, H. Bertagnolli, Physical Chemistry Chemical Physics 7 (2005).
2002 | Journal Article | LibreCat-ID: 42040
A comparative experimental study of the aggregation of Acid Red 266 in aqueous solution by use of 19F-NMR, UV/Vis spectroscopy and static light scattering
B. Neumann, K. Huber, P. Pollmann, Physical Chemistry Chemical Physics 2 (2002) 3687–3695.
LibreCat
| DOI
B. Neumann, K. Huber, P. Pollmann, Physical Chemistry Chemical Physics 2 (2002) 3687–3695.