@article{45767,
  author       = {{Calcavecchia, Francesco and Pederiva, Francesco and Kalos, Malvin H. and Kühne, Thomas D.}},
  journal      = {{Phys. Rev. E}},
  title        = {{{Sign problem of the fermionic shadow wave function}}},
  volume       = {{90}},
  year         = {{2014}},
}

@article{45768,
  author       = {{Richters, Dorothee }},
  journal      = {{J. Chem. Phys.}},
  title        = {{{Self-consistent field theory based molecular dynamics with linear system-size scaling}}},
  volume       = {{140}},
  year         = {{2014}},
}

@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}},
}

@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{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}},
}

@article{15863,
  author       = {{Vollbrecht, Joachim and Bock, Harald and Wiebeler, Christian and Schumacher, Stefan and Kitzerow, Heinz-Siegfried}},
  issn         = {{0947-6539}},
  journal      = {{Chemistry - A European Journal}},
  pages        = {{12026--12031}},
  title        = {{{Polycyclic Aromatic Hydrocarbons Obtained by Lateral Core Extension of Mesogenic Perylenes: Absorption and Optoelectronic Properties}}},
  doi          = {{10.1002/chem.201403287}},
  year         = {{2014}},
}

@inproceedings{63087,
  author       = {{Dettweiler, Yvonne and Fechner, Sabine}},
  booktitle    = {{Naturwissenschaftliche Bildung zwischen Science- und Fachunterricht (pp. 594-596)}},
  editor       = {{Bernholt, Sascha}},
  publisher    = {{IPN-Verlag}},
  title        = {{{Konzeptverständnis durch Vernetzung von Repräsentationsebenen}}},
  year         = {{2014}},
}

@inproceedings{63086,
  author       = {{Bulte, Astrid and Prins, Gjalt and Fechner, Sabine}},
  booktitle    = {{International Conference on Chemical Education (ICCE), Toronto, Canada}},
  title        = {{{Challenges in implementing context-concept approaches on a larger scale – The case of the Netherlands}}},
  year         = {{2014}},
}

@inproceedings{63088,
  author       = {{Fechner, Sabine and Romero, Martha and Quesada, A.}},
  booktitle    = {{Educating the Educators Conference, Essen, Germany}},
  title        = {{{Challenges of designing and disseminating an inquiry-based and workplace-related task in chemistry}}},
  year         = {{2014}},
}

@article{64891,
  abstract     = {{<jats:title>Abstract</jats:title><jats:p>The dehydrocoupling of hydrosilanes with anilines, carbazoles and indoles is reported.</jats:p>}},
  author       = {{Greb, Lutz and Tamke, Sergej and Paradies, Jan}},
  issn         = {{0931-7597}},
  journal      = {{ChemInform}},
  number       = {{25}},
  publisher    = {{Wiley}},
  title        = {{{ChemInform Abstract: Catalytic Metal‐Free Si—N Cross‐Dehydrocoupling.}}},
  doi          = {{10.1002/chin.201425048}},
  volume       = {{45}},
  year         = {{2014}},
}

@article{64892,
  abstract     = {{<jats:title>Abstract</jats:title><jats:p>Review: [41 refs.</jats:p>}},
  author       = {{Paradies, Jan}},
  issn         = {{0931-7597}},
  journal      = {{ChemInform}},
  number       = {{23}},
  publisher    = {{Wiley}},
  title        = {{{ChemInform Abstract: Metal‐Free Hydrogenation of Unsaturated Hydrocarbons Employing Molecular Hydrogen}}},
  doi          = {{10.1002/chin.201423263}},
  volume       = {{45}},
  year         = {{2014}},
}

@article{20946,
  abstract     = {{In the current work, we study the silver ion release potential and the water uptake through a SiOxCyHz-polymer which is grown from the precursor hexamethyldisiloxane (HMDSO) in radiofrequency (RF) plasma. These layers were deposited on top of two dimensional (2D) ensembles of silver nanoparticles (AgNPs) with nominal thickness of 2 nm on a 20 nm RF-sputtered polytetrafluoroethylene (PTFE) thin film. The composition of the plasma-polymerized HMDSO barriers was varied by changing the oxygen flow during the polymerization process and their thickness was varied as well. Morphology and optical properties of the nanocomposites were investigated using transmission electron microscopy (TEM) and UV-Visible spectroscopy (UV-Vis), respectively. The concentration of the silver ions released from the nanocomposites after immersion in water for several time intervals was measured using inductively coupled plasma mass spectrometry (ICP-MS). Contact angle analysis and electrochemical impedance spectroscopy (EIS) measurements were also performed and results show a strong dependence of the coatings properties and their water uptake on the oxygen content in the coating films and their thickness. Plasma polymerization with increasing the oxygen flow leads to the formation of more hydrophilic thin films with a higher Ag ion release potential. Increasing the thickness of the coatings reduced the amount of the released ions and the rate of the release process was slowed down. This indicates that by tailoring the structure and the thickness of the plasma-polymerized coating films, one can tune the silver ion release properties of Ag/polymer nanocomposites.}},
  author       = {{Alissawi, N. and Peter, T. and Strunskus, T. and Ebbert, Christoph and Grundmeier, Guido and Faupel, F.}},
  issn         = {{1572-896X}},
  journal      = {{JOURNAL OF NANOPARTICLE RESEARCH}},
  number       = {{11}},
  title        = {{{Plasma-polymerized HMDSO coatings to adjust the silver ion release properties of Ag/polymer nanocomposites}}},
  doi          = {{10.1007/s11051-013-2080-9}},
  volume       = {{15}},
  year         = {{2013}},
}