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2107 Publications
2016 | Journal Article | LibreCat-ID: 37984
M.-L. Schirmer, A. Spannenberg, and T. Werner, “Highly functionalized alkenes produced from base-free organocatalytic Wittig reactions: (E)-3-benzylidenepyrrolidine-2,5-dione, (E)-3-benzylidene-1-methylpyrrolidine-2,5-dione and (E)-3-benzylidene-1-tert-butylpyrrolidine-2,5-dione,” Acta Crystallographica Section C Structural Chemistry, vol. 72, no. 6, pp. 504–508, 2016, doi: 10.1107/s2053229616008159.
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 37981
J. Diebler, A. Spannenberg, and T. Werner, “Atom economical synthesis of di- and trithiocarbonates by the lithium tert-butoxide catalyzed addition of carbon disulfide to epoxides and thiiranes,” Organic and Biomolecular Chemistry, vol. 14, no. 31, pp. 7480–7489, 2016, doi: 10.1039/c6ob01081d.
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| DOI
2016 | Journal Article | LibreCat-ID: 37987
W. Desens, C. Kohrt, A. Spannenberg, and T. Werner, “A novel zinc based binary catalytic system for CO2utilization under mild conditions,” Organic Chemistry Frontiers, vol. 3, no. 2, pp. 156–164, 2016, doi: 10.1039/c5qo00356c.
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| DOI
2016 | Journal Article | LibreCat-ID: 37982
J. Diebler, H. Komber, L. Häußler, A. Lederer, and T. Werner, “Alkoxide-Initiated Regioselective Coupling of Carbon Disulfide and Terminal Epoxides for the Synthesis of Strongly Alternating Copolymers,” Macromolecules, vol. 49, no. 13, pp. 4723–4731, 2016, doi: 10.1021/acs.macromol.6b00728.
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 37980
H. Büttner, C. Grimmer, J. Steinbauer, and T. Werner, “Iron-Based Binary Catalytic System for the Valorization of CO2 into Biobased Cyclic Carbonates,” ACS Sustainable Chemistry & Engineering, vol. 4, no. 9, pp. 4805–4814, 2016, doi: 10.1021/acssuschemeng.6b01092.
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 37986
M.-L. Schirmer, S. Adomeit, A. Spannenberg, and T. Werner, “Novel Base-Free Catalytic Wittig Reaction for the Synthesis of Highly Functionalized Alkenes,” Chemistry - A European Journal, vol. 22, no. 7, pp. 2458–2465, 2016, doi: 10.1002/chem.201503744.
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| DOI
2016 | Journal Article | LibreCat-ID: 37985
J. Diebler, A. Spannenberg, and T. Werner, “Regio- and Stereoselective Synthesis of Dithiocarbonates under Ambient and Solvent-Free Conditions,” ChemCatChem, vol. 8, no. 12, pp. 2027–2030, 2016, doi: 10.1002/cctc.201600242.
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 37988
W. Desens and T. Werner, “Convergent Activation Concept for CO2Fixation in Carbonates,” Advanced Synthesis and Catalysis, vol. 358, no. 4, pp. 622–630, 2016, doi: 10.1002/adsc.201500941.
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 62782
R. Ostwald, T. Bartel, and A. Menzel, “Extending a finite strain hyperelastic micro‐sphere framework towards phase transformations,” PAMM, vol. 16, no. 1, pp. 381–382, 2016, doi: 10.1002/pamm.201610179.
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 10024 | 
A. Riefer, M. Friedrich, S. Sanna, U. Gerstmann, A. Schindlmayr, and W. G. Schmidt, “LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling, and thermal effects,” Physical Review B, vol. 93, no. 7, Art. no. 075205, 2016, doi: 10.1103/PhysRevB.93.075205.
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2016 | Journal Article | LibreCat-ID: 10025
M. Friedrich, A. Schindlmayr, W. G. Schmidt, and S. Sanna, “LiTaO3 phonon dispersion and ferroelectric transition calculated from first principles,” Physica Status Solidi B, vol. 253, no. 4, pp. 683–689, 2016, doi: 10.1002/pssb.201552576.
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2016 | Journal Article | LibreCat-ID: 13492
S. Tebi et al., “Manipulation resolves non-trivial structure of corrole monolayer on Ag(111),” Nanotechnology, vol. 27, Art. no. 025704, 2016, doi: 10.1088/0957-4484/27/2/025704.
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| DOI
2016 | Journal Article | LibreCat-ID: 13491
W. Schöfberger et al., “A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions in Water,” Angewandte Chemie International Edition, pp. 2350–2355, 2016, doi: 10.1002/anie.201508404.
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13476
N. J. Vollmers et al., “Experimental and Theoretical High-Energy-Resolution X-ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State,” Inorganic Chemistry, vol. 55, pp. 11694–11706, 2016, doi: 10.1021/acs.inorgchem.6b01704.
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13477
M. Witte et al., “Optical response of the Cu2S2diamond core in Cu2II(NGuaS)2Cl2,” Journal of Computational Chemistry, vol. 37, no. 23–24, pp. 2181–2192, 2016, doi: 10.1002/jcc.24439.
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13479
A. Lücke et al., “Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated from First Principles,” The Journal of Physical Chemistry B, vol. 120, pp. 5572–5580, 2016, doi: 10.1021/acs.jpcb.6b03598.
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13480
A. Paulheim, C. Marquardt, H. Aldahhak, E. Rauls, W. G. Schmidt, and M. Sokolowski, “Inhomogeneous and Homogeneous Line Broadening of Optical Spectra of PTCDA Molecules Adsorbed at Step Edges of Alkali Halide Surfaces,” The Journal of Physical Chemistry C, vol. 10, pp. 11926–11937, 2016, doi: 10.1021/acs.jpcc.6b01956.
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13485
S. Sanna et al., “Rare-earth silicide thin films on the Si(111) surface,” Physical Review B, vol. 93, no. 19, 2016, doi: 10.1103/physrevb.93.195407.
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13487
M. Witte, U. Gerstmann, A. Neuba, G. Henkel, and W. G. Schmidt, “Density functional theory of the CuA-like Cu2S2 diamond core in Cu 2II(NGuaS)2Cl2,” Journal of Computational Chemistry, vol. 37, pp. 1005–1018, 2016, doi: 10.1002/jcc.24289.
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