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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
 

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
 

2015 | Journal Article | LibreCat-ID: 25940 | OA
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.
LibreCat | DOI | Download (ext.)
 

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
 

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
 

2014 | Journal Article | LibreCat-ID: 41225 LibreCat | DOI
 

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
 

2013 | Journal Article | LibreCat-ID: 41235 LibreCat | DOI
 

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
 

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
 

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
 

2010 | Journal Article | LibreCat-ID: 41266 LibreCat | DOI
 

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
 

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
 

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
 

2002 | Journal Article | LibreCat-ID: 42040 LibreCat | DOI
 

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