@article{37991,
  abstract     = {{<jats:p>The title compound, C<jats:sub>17</jats:sub>H<jats:sub>18</jats:sub>O<jats:sub>5</jats:sub>, was synthesized by a base-free catalytic Wittig reaction. The molecule consists of a diethyl itaconate unit, which is connected<jats:italic>via</jats:italic>the C=C double bond to a benzofuran moiety. The benzofuran ring system (r.m.s. deviation = 0.007 Å) forms dihedral angles of 79.58 (4) and 12.12 (10)° with the mean planes through the<jats:italic>cis</jats:italic>and<jats:italic>trans</jats:italic>ethoxycarbonyl groups, respectively. An intramolecular C—H...O hydrogen bond involving the O atom of the benzofuran moiety is observed. In the crystal, molecules are linked into ribbons running parallel to the<jats:italic>b</jats:italic>axis by C—H...O hydrogen bonds.</jats:p>}},
  author       = {{Schirmer, Marie-Luis and Spannenberg, Anke and Werner, Thomas}},
  issn         = {{2056-9890}},
  journal      = {{Acta Crystallographica Section E Crystallographic Communications}},
  keywords     = {{T2}},
  number       = {{11}},
  pages        = {{o872--o872}},
  publisher    = {{International Union of Crystallography (IUCr)}},
  title        = {{{Crystal structure of diethyl (<i>E</i>)-2-[(benzofuran-2-yl)methylidene]succinate}}},
  doi          = {{10.1107/s2056989015019313}},
  volume       = {{71}},
  year         = {{2015}},
}

@article{37994,
  author       = {{Hoffmann, Marcel and Deshmukh, Sunetra and Werner, Thomas}},
  issn         = {{1434-193X}},
  journal      = {{European Journal of Organic Chemistry}},
  keywords     = {{T2, CSSD}},
  number       = {{20}},
  pages        = {{4532--4543}},
  publisher    = {{Wiley}},
  title        = {{{Scope and Limitation of the Microwave-Assisted Catalytic Wittig Reaction}}},
  doi          = {{10.1002/ejoc.201500310}},
  volume       = {{2015}},
  year         = {{2015}},
}

@article{37992,
  author       = {{Großeheilmann, Julia and Büttner, Hendrik and Kohrt, Christina and Kragl, Udo and Werner, Thomas}},
  issn         = {{2168-0485}},
  journal      = {{ACS Sustainable Chemistry and Engineering}},
  keywords     = {{T1, T2, CSSD}},
  number       = {{11}},
  pages        = {{2817--2822}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Recycling of Phosphorus-Based Organocatalysts by Organic Solvent Nanofiltration}}},
  doi          = {{10.1021/acssuschemeng.5b00734}},
  volume       = {{3}},
  year         = {{2015}},
}

@article{37993,
  author       = {{Büttner, Hendrik and Steinbauer, Johannes and Werner, Thomas}},
  issn         = {{1864-5631}},
  journal      = {{ChemSusChem}},
  keywords     = {{T1, T2, CSSD}},
  number       = {{16}},
  pages        = {{2655--2669}},
  publisher    = {{Wiley}},
  title        = {{{Synthesis of Cyclic Carbonates from Epoxides and Carbon Dioxide by Using Bifunctional One-Component Phosphorus-Based Organocatalysts}}},
  doi          = {{10.1002/cssc.201500612}},
  volume       = {{8}},
  year         = {{2015}},
}

@article{37997,
  author       = {{Kohrt, Christina and Werner, Thomas}},
  issn         = {{1864-5631}},
  journal      = {{ChemSusChem}},
  keywords     = {{T1, T2, CSSD}},
  number       = {{12}},
  pages        = {{2031--2034}},
  publisher    = {{Wiley}},
  title        = {{{Recyclable Bifunctional Polystyrene and Silica Gel-Supported Organocatalyst for the Coupling of CO<sub>2</sub>with Epoxides}}},
  doi          = {{10.1002/cssc.201500128}},
  volume       = {{8}},
  year         = {{2015}},
}

@article{37990,
  author       = {{Desens, Willi and Kohrt, Christina and Frank, Marcus and Werner, Thomas}},
  issn         = {{1864-5631}},
  journal      = {{ChemSusChem}},
  keywords     = {{T1, T2, CSSD}},
  number       = {{22}},
  pages        = {{3815--3822}},
  publisher    = {{Wiley}},
  title        = {{{Highly Efficient Polymer-Supported Catalytic System for the Valorization of Carbon Dioxide}}},
  doi          = {{10.1002/cssc.201501119}},
  volume       = {{8}},
  year         = {{2015}},
}

@article{37995,
  author       = {{Schirmer, Marie-Luis and Adomeit, Sven and Werner, Thomas}},
  issn         = {{1523-7060}},
  journal      = {{Organic Letters}},
  keywords     = {{T2, CSSD}},
  number       = {{12}},
  pages        = {{3078--3081}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{First Base-Free Catalytic Wittig Reaction}}},
  doi          = {{10.1021/acs.orglett.5b01352}},
  volume       = {{17}},
  year         = {{2015}},
}

@article{37998,
  author       = {{Büttner, Hendrik and Lau, Kornelia and Spannenberg, Anke and Werner, Thomas}},
  issn         = {{1867-3880}},
  journal      = {{ChemCatChem}},
  keywords     = {{T1, CSSD}},
  number       = {{3}},
  pages        = {{459--467}},
  publisher    = {{Wiley}},
  title        = {{{Bifunctional One-Component Catalysts for the Addition of Carbon Dioxide to Epoxides}}},
  doi          = {{10.1002/cctc.201402816}},
  volume       = {{7}},
  year         = {{2015}},
}

@misc{62217,
  author       = {{Heinrichs, Ulrike}},
  booktitle    = {{Allgemeines Künstlerlexikon }},
  editor       = {{Beyer, Andreas and Savoy, Bénédicte and Tegethoff, Wolf}},
  pages        = {{409--410}},
  publisher    = {{K. G. Saur}},
  title        = {{{Liège, Jean de (1357)}}},
  volume       = {{84}},
  year         = {{2015}},
}

@misc{62309,
  author       = {{Heinrichs, Ulrike}},
  booktitle    = {{Allgemeines Künstlerlexikon }},
  editor       = {{Beyer, Andreas and Savoy, Bénédicte and Tegethoff, Wolf}},
  pages        = {{410--411}},
  publisher    = {{K. G. Saur}},
  title        = {{{Liège, Jean de}}},
  volume       = {{84}},
  year         = {{2015}},
}

@phdthesis{62784,
  abstract     = {{Die vorliegende Arbeit behandelt einen neuartigen Modellierungsrahmen zur Simulation von austenitisch-martensitischen Phasentransformationen in Formgedächtnislegierungen (SMA) und TRIP-Stählen. Das Ziel der Arbeit ist die Entwicklung und Ausarbeitung eines generalisierten Modells, welches das charakteristische makroskopische Verhalten sowohl von SMA als auch von TRIP-Stahl abbildet. Als Basis für die Formulierung dient ein skalarwertiges, thermodynamisch konsistentes, auf statistischer Physik basierendes Modell für die Simulation von SMA. Im Verlauf dieser Arbeit wird das Modell in affine und nicht-affine Microsphere-Formulierungen eingebettet um das polykristalline Materialverhalten abzubilden und um die Simulation dreidimensionaler Randwertprobleme zu ermöglichen. Darüberhinaus wird eine Kopplung an Plastizität vorgestellt, welche zusätzlich die Abbildung des Verhaltens von TRIP-Stahl ermöglicht. Abschließend wird die Implementierung eines dreidimensionalen Phasentransformationsmodells für finite Deformationen mit dem Fokus auf repräsentative Transformationsrichtungen in einem thermo-elastoplastischen Framework gezeigt.}},
  author       = {{Ostwald, Richard}},
  publisher    = {{LibreCat University}},
  title        = {{{Modelling and simulation of phase transformations in elasto-plastic polycrystals}}},
  doi          = {{10.17877/DE290R-155}},
  year         = {{2015}},
}

@article{62783,
  author       = {{Ostwald, Richard and Bartel, Thorsten and Menzel, Andreas}},
  issn         = {{0045-7825}},
  journal      = {{Computer Methods in Applied Mechanics and Engineering}},
  pages        = {{232--265}},
  publisher    = {{Elsevier BV}},
  title        = {{{An energy-barrier-based computational micro-sphere model for phase-transformations interacting with plasticity}}},
  doi          = {{10.1016/j.cma.2015.04.008}},
  volume       = {{293}},
  year         = {{2015}},
}

@article{62811,
  abstract     = {{The photo-conversion efficiency and stability of back-illuminated dye sensitised solar cells with titanium foil based photoanodes are enhanced by a simple nitric acid treatment through which the foil is passivated. This treatment changes the morphology of the titanium foil and increases its electrochemical double layer capacitance.}},
  author       = {{Linnemann, Julia and Giorgio, J. and Wagner, K. and Mathieson, G. and Wallace, G. G. and Officer, D. L.}},
  issn         = {{2050-7488}},
  journal      = {{Journal of Materials Chemistry A}},
  keywords     = {{dye sensitized solar cells, DSSCs}},
  number       = {{7}},
  pages        = {{3266--3270}},
  publisher    = {{Royal Society of Chemistry (RSC)}},
  title        = {{{A simple one step process for enhancement of titanium foil dye sensitised solar cell anodes}}},
  doi          = {{10.1039/c4ta05407e}},
  volume       = {{3}},
  year         = {{2015}},
}

@article{10030,
  abstract     = {{The vibrational properties of stoichiometric LiNbO3 are analyzed within density-functional perturbation theory in order to obtain the complete phonon dispersion of the material. The phonon density of states of the ferroelectric (paraelectric) phase shows two (one) distinct band gaps separating the high-frequency (~800 cm−1) optical branches from the continuum of acoustic and lower optical phonon states. This result leads to specific heat capacites in close agreement with experimental measurements in the range 0–350 K and a Debye temperature of 574 K. The calculated zero-point renormalization of the electronic Kohn–Sham eigenvalues reveals a strong dependence on the phonon wave vectors, especially near Γ. Integrated over all phonon modes, our results indicate a vibrational correction of the electronic band gap of 0.41 eV at 0 K, which is in excellent agreement with the extrapolated temperature-dependent measurements.}},
  author       = {{Friedrich, Michael and Riefer, Arthur and Sanna, Simone and Schmidt, Wolf Gero and Schindlmayr, Arno}},
  issn         = {{1361-648X}},
  journal      = {{Journal of Physics: Condensed Matter}},
  number       = {{38}},
  publisher    = {{IOP Publishing}},
  title        = {{{Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory}}},
  doi          = {{10.1088/0953-8984/27/38/385402}},
  volume       = {{27}},
  year         = {{2015}},
}

@article{13493,
  author       = {{Müllegger, Stefan and Rauls, Eva and Gerstmann, Uwe and Tebi, Stefano and Serrano, Giulia and Wiespointner-Baumgarthuber, Stefan and Schmidt, Wolf Gero and Koch, Reinhold}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{22}},
  title        = {{{Mechanism for nuclear and electron spin excitation by radio frequency current}}},
  doi          = {{10.1103/physrevb.92.220418}},
  volume       = {{92}},
  year         = {{2015}},
}

@article{13496,
  author       = {{Edler, F. and Miccoli, I. and Demuth, S. and Pfnür, H. and Wippermann, S. and Lücke, A. and Schmidt, Wolf Gero and Tegenkamp, C.}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{8}},
  title        = {{{Interwire coupling forIn(4×1)/Si(111) probed by surface transport}}},
  doi          = {{10.1103/physrevb.92.085426}},
  volume       = {{92}},
  year         = {{2015}},
}

@article{13495,
  author       = {{Aldahhak, Hazem and Rauls, E. and Schmidt, Wolf Gero}},
  issn         = {{0039-6028}},
  journal      = {{Surface Science}},
  pages        = {{260--265}},
  title        = {{{Diindenoperylene adsorption on Cu(111) studied with density-functional theory}}},
  doi          = {{10.1016/j.susc.2015.03.007}},
  year         = {{2015}},
}

@article{13494,
  author       = {{Aldahhak, Hazem and Schmidt, Wolf Gero and Rauls, E.}},
  issn         = {{0039-6028}},
  journal      = {{Surface Science}},
  pages        = {{278--281}},
  title        = {{{Single PTCDA molecules on planar and stepped KCl and NaCl(100) surfaces}}},
  doi          = {{10.1016/j.susc.2015.01.013}},
  year         = {{2015}},
}

@article{13502,
  author       = {{Klein, C. and Vollmers, N. J. and Gerstmann, Uwe and Zahl, P. and Lükermann, D. and Jnawali, G. and Pfnür, H. and Tegenkamp, C. and Sutter, P. and Schmidt, Wolf Gero and Horn-von Hoegen, M.}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{19}},
  title        = {{{Barrier-free subsurface incorporation of 3d metal atoms into Bi(111) films}}},
  doi          = {{10.1103/physrevb.91.195441}},
  volume       = {{91}},
  year         = {{2015}},
}

@article{13504,
  author       = {{Sanna, S. and Dues, C. and Schmidt, Wolf Gero}},
  issn         = {{0927-0256}},
  journal      = {{Computational Materials Science}},
  pages        = {{145--150}},
  title        = {{{Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles}}},
  doi          = {{10.1016/j.commatsci.2015.03.025}},
  volume       = {{103}},
  year         = {{2015}},
}