@article{41235,
  author       = {{Atkins, Andrew J. and Bauer, Matthias and Jacob, Christoph R.}},
  issn         = {{1463-9076}},
  journal      = {{Physical Chemistry Chemical Physics}},
  keywords     = {{Physical and Theoretical Chemistry, General Physics and Astronomy}},
  number       = {{21}},
  publisher    = {{Royal Society of Chemistry (RSC)}},
  title        = {{{The chemical sensitivity of X-ray spectroscopy: high energy resolution XANES versus X-ray emission spectroscopy of substituted ferrocenes}}},
  doi          = {{10.1039/c3cp50999k}},
  volume       = {{15}},
  year         = {{2013}},
}

@article{41230,
  author       = {{Delgado-Jaime, Mario Ulises and DeBeer, Serena and Bauer, Matthias}},
  issn         = {{0947-6539}},
  journal      = {{Chemistry - A European Journal}},
  keywords     = {{General Chemistry, Catalysis, Organic Chemistry}},
  number       = {{47}},
  pages        = {{15888--15897}},
  publisher    = {{Wiley}},
  title        = {{{Valence-to-Core X-Ray Emission Spectroscopy of Iron-Carbonyl Complexes: Implications for the Examination of Catalytic Intermediates}}},
  doi          = {{10.1002/chem.201301913}},
  volume       = {{19}},
  year         = {{2013}},
}

@article{41231,
  author       = {{Schoch, Roland and Desens, Willi and Werner, Thomas and Bauer, Matthias}},
  issn         = {{0947-6539}},
  journal      = {{Chemistry - A European Journal}},
  keywords     = {{General Chemistry, Catalysis, Organic Chemistry}},
  number       = {{47}},
  pages        = {{15816--15821}},
  publisher    = {{Wiley}},
  title        = {{{X-ray Spectroscopic Verification of the Active Species in Iron-Catalyzed Cross-Coupling Reactions}}},
  doi          = {{10.1002/chem.201303340}},
  volume       = {{19}},
  year         = {{2013}},
}

@article{41249,
  author       = {{Conrad, Franziska and Bauer, Matthias and Weyeneth, Stephen and Zhou, Ying and Hametner, Kathrin and Günther, Detlef and Patzke, Greta Ricarda}},
  issn         = {{1293-2558}},
  journal      = {{Solid State Sciences}},
  keywords     = {{Condensed Matter Physics, General Materials Science, General Chemistry}},
  pages        = {{125--132}},
  publisher    = {{Elsevier BV}},
  title        = {{{Hierarchically structured copper gallium spinels through microwave hydrothermal methods}}},
  doi          = {{10.1016/j.solidstatesciences.2013.06.016}},
  volume       = {{24}},
  year         = {{2013}},
}

@article{41978,
  author       = {{Schweinefuß, Maria E. and Springer, Sergej and Baburin, Igor A. and Hikov, Todor and Huber, Klaus and Leoni, Stefano and Wiebcke, Michael}},
  issn         = {{1477-9226}},
  journal      = {{Dalton Transactions}},
  keywords     = {{Inorganic Chemistry}},
  number       = {{9}},
  publisher    = {{Royal Society of Chemistry (RSC)}},
  title        = {{{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}}},
  doi          = {{10.1039/c3dt52992d}},
  volume       = {{43}},
  year         = {{2013}},
}

@article{41980,
  author       = {{Michels, Rolf and Hertle, Yvonne and Hellweg, Thomas and Huber, Klaus}},
  issn         = {{1520-6106}},
  journal      = {{The Journal of Physical Chemistry B}},
  keywords     = {{Materials Chemistry, Surfaces, Coatings and Films, Physical and Theoretical Chemistry}},
  number       = {{48}},
  pages        = {{15165--15175}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Kinetic and Structural Features of a Dyestuff Coaggregation Studied by Time-Resolved Static Light Scattering}}},
  doi          = {{10.1021/jp405206p}},
  volume       = {{117}},
  year         = {{2013}},
}

@article{41981,
  author       = {{Michels, Rolf and Sinemus, Thomas and Hoffmann, Jan and Brutschy, Bernhard and Huber, Klaus}},
  issn         = {{1520-6106}},
  journal      = {{The Journal of Physical Chemistry B}},
  keywords     = {{Materials Chemistry, Surfaces, Coatings and Films, Physical and Theoretical Chemistry}},
  number       = {{28}},
  pages        = {{8611--8619}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Co-Aggregation of Two Anionic Azo Dyestuffs at a Well-Defined Stoichiometry}}},
  doi          = {{10.1021/jp403985m}},
  volume       = {{117}},
  year         = {{2013}},
}

@article{41979,
  author       = {{Schneider, M. and Michels, R. and Pipich, V. and Goerigk, G. and Sauer, V. and Heim, H.-P. and Huber, Klaus}},
  issn         = {{0024-9297}},
  journal      = {{Macromolecules}},
  keywords     = {{Materials Chemistry, Inorganic Chemistry, Polymers and Plastics, Organic Chemistry}},
  number       = {{22}},
  pages        = {{9091--9103}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Morphology of Blends with Cross-Linked PMMA Microgels and Linear PMMA Chains}}},
  doi          = {{10.1021/ma401889k}},
  volume       = {{46}},
  year         = {{2013}},
}

@article{41982,
  author       = {{Lages, Sebastian and Goerigk, Günter and Huber, Klaus}},
  issn         = {{0024-9297}},
  journal      = {{Macromolecules}},
  keywords     = {{Materials Chemistry, Inorganic Chemistry, Polymers and Plastics, Organic Chemistry}},
  number       = {{9}},
  pages        = {{3570--3580}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{SAXS and ASAXS on Dilute Sodium Polyacrylate Chains Decorated with Lead Ions}}},
  doi          = {{10.1021/ma400427d}},
  volume       = {{46}},
  year         = {{2013}},
}

@article{25954,
  abstract     = {{The light-enhanced NO2 sensing behavior of mesoporous In2O3 is measured and interpreted by means of a new sensing model. The model aims at explaining (i) the drop in electronic resistance of n-type semiconducting In2O3 under UV light exposure, (ii) the light-enhanced reaction to oxidizing gases, and (iii) the faster reaction and regeneration in mesoporous In2O3 as compared to non-porous material. Contrary to the conventional double Schottky model the dominating factor for the change in resistance is a change of oxygen vacancy donor states (0.18 eV below the conduction band) in the bulk phase due to photoreduction, instead of chemisorption. For the faster reaction and regeneration we propose an explanation based on enhanced oxygen diffusion in the In2O3 crystal lattice, specifically dominant in the mesoporous structure. The response of ordered mesoporous In2O3 to NO2 is stronger than in case of unstructured bulk material (with an average grain size of ca. 40 nm). The reaction is significantly accelerated by illuminating the samples with UV light. However, the response of the mesoporous material is weaker in the illuminated case.}},
  author       = {{Wagner, Thorsten and Kohl, Claus-Dieter and Malagù, Cesare and Donato, Nicola and Latino, Mariangela and Neri, Giovanni and Tiemann, Michael}},
  issn         = {{0925-4005}},
  journal      = {{Sensors and Actuators B: Chemical}},
  pages        = {{488--494}},
  title        = {{{UV light-enhanced NO2 sensing by mesoporous In2O3: Interpretation of results by a new sensing model}}},
  doi          = {{10.1016/j.snb.2013.02.025}},
  year         = {{2013}},
}

@article{25953,
  abstract     = {{Nanostructure-related magnetic properties are investigated systematically for various mesoporous cobalt oxide (Co3O4) and cobalt ferrite (CoFe2O4) spinel phases. Synthesis of the materials by nanocasting offers the opportunity to obtain materials which are different from each other with respect to both specific surface area and crystallite size. As a result, the respective contributions of two types of interfaces, namely, “solid–gas” and “solid–solid” interfaces, to the magnetic ordering can be distinguished. Structural characterization of the porous materials by X-ray diffraction, N2 physisorption, and electron microscopy as well as investigation of the magnetic behavior (field-dependent magnetization and temperature-dependent susceptibility) are presented.}},
  author       = {{Haffer, Stefanie and Walther, Till and Köferstein, Roberto and Ebbinghaus, Stefan G. and Tiemann, Michael}},
  issn         = {{1932-7447}},
  journal      = {{The Journal of Physical Chemistry C}},
  pages        = {{24471--24478}},
  title        = {{{Nanostructure-Related Magnetic Properties of Various Mesoporous Cobalt Oxide and Cobalt Ferrite Spinel Phases}}},
  doi          = {{10.1021/jp409058t}},
  year         = {{2013}},
}

@article{25952,
  abstract     = {{Ordered mesoporous materials have great potential in the field of gas sensing. Today various template-assisted synthesis methods facilitate the preparation of silica (SiO2) as well as numerous metal oxides with well-defined, uniform and regular pore systems. The unique nanostructural properties of such materials are particularly useful for their application as active layers in gas sensors based on various operating principles, such as capacitive, resistive, or optical sensing. This review summarizes the basic aspects of materials synthesis, discusses some structural properties relevant in gas sensing, and gives an overview of the literature on ordered mesoporous gas sensors.}},
  author       = {{Wagner, Thorsten and Haffer, Stefanie and Weinberger, Christian and Klaus, Dominik and Tiemann, Michael}},
  issn         = {{0306-0012}},
  journal      = {{Chem. Soc. Rev.}},
  pages        = {{4036--4053}},
  title        = {{{Mesoporous materials as gas sensors}}},
  doi          = {{10.1039/c2cs35379b}},
  year         = {{2013}},
}

@article{44969,
  author       = {{Brehm, Martin and Weber, H. and Pensado, A. S. and Stark, A. and Kirchner, B.}},
  journal      = {{Z. Phys. Chem.}},
  pages        = {{177--203}},
  title        = {{{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}}},
  doi          = {{10.1524/zpch.2012.0327}},
  volume       = {{227}},
  year         = {{2013}},
}

@article{44971,
  author       = {{Malberg, F. and Brehm, Martin and Hollóczki, O. and Pensado, A. S. and Kirchner, B.}},
  journal      = {{Phys. Chem. Chem. Phys.}},
  pages        = {{18424--18436}},
  title        = {{{Understanding the Evaporation of Ionic Liquids using the Example of 1-Ethyl-3-Methylimidazolium Ethylsulfate}}},
  doi          = {{10.1039/C3CP52966E}},
  volume       = {{15}},
  year         = {{2013}},
}

@article{44968,
  author       = {{Hollóczki, O. and Firaha, D. S. and Friedrich, J. and Brehm, Martin and Cybik, R. and Wild, M. and Stark, A. and Kirchner, B.}},
  journal      = {{J. Phys. Chem. B}},
  pages        = {{5898--5907}},
  title        = {{{Carbene Formation in Ionic Liquids: Spontaneous, Induced, or Prohibited?}}},
  doi          = {{10.1021/jp4004399}},
  volume       = {{117 (19)}},
  year         = {{2013}},
}

@article{44970,
  author       = {{Thomas, M. and Brehm, Martin and Fligg, R. and Vöhringer, P. and Kirchner, B.}},
  journal      = {{Phys. Chem. Chem. Phys.}},
  pages        = {{6608--6622}},
  title        = {{{Computing Vibrational Spectra from ab initio Molecular Dynamics}}},
  doi          = {{10.1039/C3CP44302G}},
  volume       = {{15}},
  year         = {{2013}},
}

@article{45769,
  author       = {{Kühne, Thomas D. and Khaliullin, Rustam Z.}},
  journal      = {{Nature Commun.}},
  title        = {{{Electronic signature of the instantaneous asymmetry in the first coordination shell of liquid water}}},
  volume       = {{4}},
  year         = {{2013}},
}

@article{38006,
  author       = {{Schoch, Roland and Desens, Willi and Werner, Thomas and Bauer, Matthias}},
  issn         = {{0947-6539}},
  journal      = {{Chemistry - A European Journal}},
  keywords     = {{T3, CSSD}},
  number       = {{47}},
  pages        = {{15816--15821}},
  publisher    = {{Wiley}},
  title        = {{{X-ray Spectroscopic Verification of the Active Species in Iron-Catalyzed Cross-Coupling Reactions}}},
  doi          = {{10.1002/chem.201303340}},
  volume       = {{19}},
  year         = {{2013}},
}

@article{13517,
  author       = {{Jesser, Anton and Rohrmüller, Martin and Schmidt, Wolf Gero and Herres-Pawlis, Sonja}},
  issn         = {{0192-8651}},
  journal      = {{Journal of Computational Chemistry}},
  number       = {{1-2}},
  pages        = {{1--17}},
  title        = {{{Geometrical and optical benchmarking of copper guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory†}}},
  doi          = {{10.1002/jcc.23449}},
  volume       = {{35}},
  year         = {{2013}},
}

@article{13527,
  author       = {{Rohrmüller, M. and Herres-Pawlis, S. and Witte, M. and Schmidt, Wolf Gero}},
  issn         = {{0192-8651}},
  journal      = {{Journal of Computational Chemistry}},
  pages        = {{1035--1045}},
  title        = {{{Bis-μ-oxo and μ-η2:η2-peroxo dicopper complexes studied within (time-dependent) density-functional and many-body perturbation theory}}},
  doi          = {{10.1002/jcc.23230}},
  volume       = {{34}},
  year         = {{2013}},
}