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1456 Publications


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
 

2013 | Journal Article | LibreCat-ID: 41230
Valence-to-Core X-Ray Emission Spectroscopy of Iron-Carbonyl Complexes: Implications for the Examination of Catalytic Intermediates
M.U. Delgado-Jaime, S. DeBeer, M. Bauer, Chemistry - A European Journal 19 (2013) 15888–15897.
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2013 | Journal Article | LibreCat-ID: 41231
X-ray Spectroscopic Verification of the Active Species in Iron-Catalyzed Cross-Coupling Reactions
R. Schoch, W. Desens, T. Werner, M. Bauer, Chemistry - A European Journal 19 (2013) 15816–15821.
LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 41249
Hierarchically structured copper gallium spinels through microwave hydrothermal methods
F. Conrad, M. Bauer, S. Weyeneth, Y. Zhou, K. Hametner, D. Günther, G.R. Patzke, Solid State Sciences 24 (2013) 125–132.
LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 41978
Zeolitic imidazolate framework-71 nanocrystals and a novel SOD-type polymorph: solution mediated phase transformations, phase selection via coordination modulation and a density functional theory derived energy landscape
M.E. Schweinefuß, S. Springer, I.A. Baburin, T. Hikov, K. Huber, S. Leoni, M. Wiebcke, Dalton Transactions 43 (2013).
LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 41980
Kinetic and Structural Features of a Dyestuff Coaggregation Studied by Time-Resolved Static Light Scattering
R. Michels, Y. Hertle, T. Hellweg, K. Huber, The Journal of Physical Chemistry B 117 (2013) 15165–15175.
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2013 | Journal Article | LibreCat-ID: 41981
Co-Aggregation of Two Anionic Azo Dyestuffs at a Well-Defined Stoichiometry
R. Michels, T. Sinemus, J. Hoffmann, B. Brutschy, K. Huber, The Journal of Physical Chemistry B 117 (2013) 8611–8619.
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2013 | Journal Article | LibreCat-ID: 41979
Morphology of Blends with Cross-Linked PMMA Microgels and Linear PMMA Chains
M. Schneider, R. Michels, V. Pipich, G. Goerigk, V. Sauer, H.-P. Heim, K. Huber, Macromolecules 46 (2013) 9091–9103.
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2013 | Journal Article | LibreCat-ID: 41982
SAXS and ASAXS on Dilute Sodium Polyacrylate Chains Decorated with Lead Ions
S. Lages, G. Goerigk, K. Huber, Macromolecules 46 (2013) 3570–3580.
LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 25954
UV light-enhanced NO2 sensing by mesoporous In2O3: Interpretation of results by a new sensing model
T. Wagner, C.-D. Kohl, C. Malagù, N. Donato, M. Latino, G. Neri, M. Tiemann, Sensors and Actuators B: Chemical (2013) 488–494.
LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 25953
Nanostructure-Related Magnetic Properties of Various Mesoporous Cobalt Oxide and Cobalt Ferrite Spinel Phases
S. Haffer, T. Walther, R. Köferstein, S.G. Ebbinghaus, M. Tiemann, The Journal of Physical Chemistry C (2013) 24471–24478.
LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 25952
Mesoporous materials as gas sensors
T. Wagner, S. Haffer, C. Weinberger, D. Klaus, M. Tiemann, Chem. Soc. Rev. (2013) 4036–4053.
LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 44969
Liquid Structure and Cluster Formation in Ionic Liquid/Water Mixtures – An Extensive ab initio Molecular Dynamics Study on 1-Ethyl-3-Methylimidazolium Acetate/Water Mixtures – Part 2
M. Brehm, H. Weber, A.S. Pensado, A. Stark, B. Kirchner, Z. Phys. Chem. 227 (2013) 177–203.
LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 44971
Understanding the Evaporation of Ionic Liquids using the Example of 1-Ethyl-3-Methylimidazolium Ethylsulfate
F. Malberg, M. Brehm, O. Hollóczki, A.S. Pensado, B. Kirchner, Phys. Chem. Chem. Phys. 15 (2013) 18424–18436.
LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 44968
Carbene Formation in Ionic Liquids: Spontaneous, Induced, or Prohibited?
O. Hollóczki, D.S. Firaha, J. Friedrich, M. Brehm, R. Cybik, M. Wild, A. Stark, B. Kirchner, J. Phys. Chem. B 117 (19) (2013) 5898–5907.
LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 44970
Computing Vibrational Spectra from ab initio Molecular Dynamics
M. Thomas, M. Brehm, R. Fligg, P. Vöhringer, B. Kirchner, Phys. Chem. Chem. Phys. 15 (2013) 6608–6622.
LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 45769
Electronic signature of the instantaneous asymmetry in the first coordination shell of liquid water
T.D. Kühne, R.Z. Khaliullin, Nature Commun. 4 (2013).
LibreCat
 

2013 | Journal Article | LibreCat-ID: 38006
X-ray Spectroscopic Verification of the Active Species in Iron-Catalyzed Cross-Coupling Reactions
R. Schoch, W. Desens, T. Werner, M. Bauer, Chemistry - A European Journal 19 (2013) 15816–15821.
LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 13517
Geometrical and optical benchmarking of copper guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory†
A. Jesser, M. Rohrmüller, W.G. Schmidt, S. Herres-Pawlis, Journal of Computational Chemistry 35 (2013) 1–17.
LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 13527
Bis-μ-oxo and μ-η2:η2-peroxo dicopper complexes studied within (time-dependent) density-functional and many-body perturbation theory
M. Rohrmüller, S. Herres-Pawlis, M. Witte, W.G. Schmidt, Journal of Computational Chemistry 34 (2013) 1035–1045.
LibreCat | DOI
 

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