@article{38004,
  abstract     = {{<jats:p>In the crystal structure of the title salt, C<jats:sub>2</jats:sub>H<jats:sub>8</jats:sub>NO<jats:sup>+</jats:sup>·I<jats:sup>−</jats:sup>, N—H...O, N—H...I and O—H...I hydrogen bonds lead to the formation of layers staggered along the<jats:italic>c</jats:italic>axis.</jats:p>}},
  author       = {{Kohrt, Christina and Spannenberg, Anke and Werner, Thomas}},
  issn         = {{1600-5368}},
  journal      = {{Acta Crystallographica Section E Structure Reports Online}},
  keywords     = {{Condensed Matter Physics, General Materials Science, General Chemistry}},
  number       = {{6}},
  pages        = {{o628--o628}},
  publisher    = {{International Union of Crystallography (IUCr)}},
  title        = {{{2-Hydroxyethylammonium iodide}}},
  doi          = {{10.1107/s1600536814009581}},
  volume       = {{70}},
  year         = {{2014}},
}

@article{38003,
  author       = {{Werner, Thomas and Bauer, Matthias and Riahi, Abdol Majid and Schramm, Heiko}},
  issn         = {{1434-193X}},
  journal      = {{European Journal of Organic Chemistry}},
  keywords     = {{Organic Chemistry, Physical and Theoretical Chemistry}},
  number       = {{22}},
  pages        = {{4876--4883}},
  publisher    = {{Wiley}},
  title        = {{{A Catalytic System for the Activation of Diorganozinc Reagents}}},
  doi          = {{10.1002/ejoc.201402138}},
  volume       = {{2014}},
  year         = {{2014}},
}

@article{38001,
  author       = {{Werner, Thomas and Hoffmann, Marcel and Deshmukh, Sunetra}},
  issn         = {{1434-193X}},
  journal      = {{European Journal of Organic Chemistry}},
  keywords     = {{T2, CSSD}},
  number       = {{31}},
  pages        = {{6873--6876}},
  publisher    = {{Wiley}},
  title        = {{{First Microwave-Assisted Catalytic Wittig Reaction}}},
  doi          = {{10.1002/ejoc.201403113}},
  volume       = {{2014}},
  year         = {{2014}},
}

@article{38002,
  author       = {{Werner, Thomas and Hoffmann, Marcel and Deshmukh, Sunetra}},
  issn         = {{1434-193X}},
  journal      = {{European Journal of Organic Chemistry}},
  keywords     = {{T2, CSSD}},
  number       = {{30}},
  pages        = {{6630--6633}},
  publisher    = {{Wiley}},
  title        = {{{First Enantioselective Catalytic Wittig Reaction}}},
  doi          = {{10.1002/ejoc.201402941}},
  volume       = {{2014}},
  year         = {{2014}},
}

@article{37999,
  author       = {{Werner, Thomas and Tenhumberg, Nils and Büttner, Hendrik}},
  issn         = {{1867-3880}},
  journal      = {{ChemCatChem}},
  keywords     = {{T1, CSSD}},
  number       = {{12}},
  pages        = {{3493--3500}},
  publisher    = {{Wiley}},
  title        = {{{Hydroxyl-Functionalized Imidazoles: Highly Active Additives for the Potassium Iodide-Catalyzed Synthesis of 1,3-Dioxolan-2-one Derivatives from Epoxides and Carbon Dioxide}}},
  doi          = {{10.1002/cctc.201402572}},
  volume       = {{6}},
  year         = {{2014}},
}

@article{38005,
  author       = {{Werner, Thomas and Tenhumberg, Nils}},
  issn         = {{2212-9820}},
  journal      = {{Journal of CO2 Utilization}},
  keywords     = {{T1, CSSD}},
  pages        = {{39--45}},
  publisher    = {{Elsevier BV}},
  title        = {{{Synthesis of cyclic carbonates from epoxides and CO2 catalyzed by potassium iodide and amino alcohols}}},
  doi          = {{10.1016/j.jcou.2014.04.002}},
  volume       = {{7}},
  year         = {{2014}},
}

@article{38000,
  author       = {{Werner, Thomas and Büttner, Hendrik}},
  issn         = {{1864-5631}},
  journal      = {{ChemSusChem}},
  keywords     = {{T1, T2, CSSD}},
  number       = {{12}},
  pages        = {{3268--3271}},
  publisher    = {{Wiley}},
  title        = {{{Phosphorus-based Bifunctional Organocatalysts for the Addition of Carbon Dioxide and Epoxides}}},
  doi          = {{10.1002/cssc.201402477}},
  volume       = {{7}},
  year         = {{2014}},
}

@article{20945,
  abstract     = {{Calcium-Silicate-Hydrates (C-S-H) are the main binding phases in most concrete which is the primarily used composite construction material in the world. However, a big lack is cleaving between the actual knowledge about C-S-H, compared to what could be reached using state-of-the-art technologies of modern research. In this article, the formation of a C-S-H phase on a native oxide covered silicon wafer is investigated by means of in-situ attenuated total reflection infrared (ATR-IR) and ex-situ surface-enhanced Raman spectroscopy (SERS). The total thickness of the C-S-H phase is determined by X-ray photoelectron spectroscopy (XPS) to be 3 nm. The formation appears to be reversible depending on the environment pH value and can be performed at room temperature. Based on density functional theory (DFT) calculations, it is shown that the C-S-H phase in the presence of water will change its chemical composition in order to reach the thermodynamic ground state of the system. This change is achieved by a metal-proton exchange reaction. The stoichiometry of these metal-proton exchange reactions is nearly independent of the environment pH value. Electrokinetic measurements yield isoelectric points of 2.0 and 2.6 for the native oxide covered silicon wafer (SiO2) and the C-S-H phase. This is consistent with a predominance of Si-O sites at the C-S-H/water interface. (C) 2013 Elsevier B. V. All rights reserved.}},
  author       = {{Ebbert, Christoph and Grundmeier, Guido and Buitkamp, Nadine and Kroeger, Alexander and Messerschmidt, Florian and Thissen, Peter}},
  issn         = {{1873-5584}},
  journal      = {{APPLIED SURFACE SCIENCE}},
  pages        = {{207--214}},
  title        = {{{Toward a microscopic understanding of the calcium-silicate-hydrates/water interface}}},
  doi          = {{10.1016/j.apsusc.2013.11.045}},
  volume       = {{290}},
  year         = {{2014}},
}

@article{54292,
  author       = {{Kley, Marina and Kempter, A. and Boyko, V. and Huber, Klaus}},
  issn         = {{0743-7463}},
  journal      = {{Langmuir}},
  number       = {{42}},
  pages        = {{12664--12674}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Mechanistic Studies of Silica Polymerization from Supersaturated Aqueous Solutions by Means of Time-Resolved Light Scattering}}},
  doi          = {{10.1021/la502730y}},
  volume       = {{30}},
  year         = {{2014}},
}

@book{36308,
  author       = {{Vogelsang, Christoph}},
  publisher    = {{LOGOS}},
  title        = {{{Validierung eines Instruments zur Erfassung der professionellen Handlungskompetenz von (angehenden) Physiklehrkräften. Zusammenhangsanalysen zwischen Lehrerkompetenz und Lehrerperformanz}}},
  year         = {{2014}},
}

@article{62785,
  abstract     = {{<jats:title>SUMMARY</jats:title><jats:p>We introduce a material model for the simulation of polycrystalline materials undergoing solid‐to‐solid phase‐transformations. As a basis, we present a scalar‐valued phase‐transformation model where a Helmholtz free energy function depending on volumetric and deviatoric strain measures is assigned to each phase. The analysis of the related overall Gibbs energy density allows for the calculation of energy barriers. With these quantities at hand, we use a statistical‐physics‐based approach to determine the resulting evolution of volume fractions. Though the model facilitates to take into account an arbitrary number of solid phases of the underlying material, we restrict this work to the simulation of phase‐transformations between an austenitic parent phase and a martensitic tension and compression phase. The scalar model is embedded into a computational micro‐sphere formulation in view of the simulation of three‐dimensional boundary value problems. The final modelling approach necessary for macroscopic simulations is accomplished by a finite element formulation, where the local material behaviour at each integration point is governed by the response of the micro‐sphere model.Copyright © 2014 John Wiley &amp; Sons, Ltd.</jats:p>}},
  author       = {{Ostwald, Richard and Bartel, Thorsten and Menzel, Andreas}},
  issn         = {{0029-5981}},
  journal      = {{International Journal for Numerical Methods in Engineering}},
  number       = {{12}},
  pages        = {{851--877}},
  publisher    = {{Wiley}},
  title        = {{{A Gibbs‐energy‐barrier‐based computational micro‐sphere model for the simulation of martensitic phase‐transformations}}},
  doi          = {{10.1002/nme.4601}},
  volume       = {{97}},
  year         = {{2014}},
}

@article{62786,
  author       = {{Ostwald, Richard and Tiffe, Marcel and Bartel, Thorsten and Zabel, Andreas and Menzel, Andreas and Biermann, Dirk}},
  issn         = {{0924-0136}},
  journal      = {{Journal of Materials Processing Technology}},
  number       = {{8}},
  pages        = {{1516--1523}},
  publisher    = {{Elsevier BV}},
  title        = {{{Towards the multi-scale simulation of martensitic phase-transformations: An efficient post-processing approach applied to turning processes}}},
  doi          = {{10.1016/j.jmatprotec.2014.02.022}},
  volume       = {{214}},
  year         = {{2014}},
}

@article{10036,
  author       = {{Hölscher, Rebecca and Schmidt, Wolf Gero and Sanna, Simone}},
  issn         = {{1932-7447}},
  journal      = {{The Journal of Physical Chemistry C}},
  pages        = {{10213--10220}},
  title        = {{{Modeling LiNbO3 Surfaces at Ambient Conditions}}},
  doi          = {{10.1021/jp502936f}},
  year         = {{2014}},
}

@article{13510,
  author       = {{Hoffmann, Alexander and Rohrmüller, Martin and Jesser, Anton and dos Santos Vieira, Ines and Schmidt, Wolf Gero and Herres-Pawlis, Sonja}},
  issn         = {{0192-8651}},
  journal      = {{Journal of Computational Chemistry}},
  number       = {{29-30}},
  pages        = {{2146--2161}},
  title        = {{{Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II)}}},
  doi          = {{10.1002/jcc.23740}},
  volume       = {{35}},
  year         = {{2014}},
}

@article{13509,
  author       = {{Oh, Deok Mahn and Wippermann, S. and Schmidt, Wolf Gero and Yeom, Han Woong}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{15}},
  title        = {{{Oxygen adsorbates on the Si(111)4×1-In metallic atomic wire: Scanning tunneling microscopy and density-functional theory calculations}}},
  doi          = {{10.1103/physrevb.90.155432}},
  volume       = {{90}},
  year         = {{2014}},
}

@article{13511,
  author       = {{Landmann, M and Köhler, T and Rauls, E and Frauenheim, T and Schmidt, Wolf Gero}},
  issn         = {{0953-8984}},
  journal      = {{Journal of Physics: Condensed Matter}},
  title        = {{{The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides}}},
  doi          = {{10.1088/0953-8984/26/25/253201}},
  volume       = {{26}},
  year         = {{2014}},
}

@article{13513,
  author       = {{Gerstmann, Uwe and Vollmers, N. J. and Lücke, A. and Babilon, M. and Schmidt, Wolf Gero}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{16}},
  title        = {{{Rashba splitting and relativistic energy shifts in In/Si(111) nanowires}}},
  doi          = {{10.1103/physrevb.89.165431}},
  volume       = {{89}},
  year         = {{2014}},
}

@article{13516,
  author       = {{Sanna, S. and Schmidt, Wolf Gero and Rode, S. and Klassen, S. and Kühnle, A.}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{7}},
  title        = {{{Unraveling theLiNbO3X-cut surface by atomic force microscopy and density functional theory}}},
  doi          = {{10.1103/physrevb.89.075403}},
  volume       = {{89}},
  year         = {{2014}},
}

@article{13514,
  author       = {{Li, Yanlu and Schmidt, Wolf Gero and Sanna, S.}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{9}},
  title        = {{{IntrinsicLiNbO3point defects from hybrid density functional calculations}}},
  doi          = {{10.1103/physrevb.89.094111}},
  volume       = {{89}},
  year         = {{2014}},
}

@article{13512,
  author       = {{Sanna, Simone and Schmidt, Wolf Gero and Thissen, Peter}},
  issn         = {{1932-7447}},
  journal      = {{The Journal of Physical Chemistry C}},
  pages        = {{8007--8013}},
  title        = {{{Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001)}}},
  doi          = {{10.1021/jp500170t}},
  volume       = {{118}},
  year         = {{2014}},
}