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Werner, “Organocatalyzed Reduction of Tertiary Phosphine Oxides,” <i>Advanced Synthesis and Catalysis</i>, vol. 358, no. 1, pp. 26–29, 2016, doi: <a href=\"https://doi.org/10.1002/adsc.201500762\">10.1002/adsc.201500762</a>.","apa":"Schirmer, M.-L., Jopp, S., Holz, J., Spannenberg, A., &#38; Werner, T. (2016). Organocatalyzed Reduction of Tertiary Phosphine Oxides. <i>Advanced Synthesis and Catalysis</i>, <i>358</i>(1), 26–29. <a href=\"https://doi.org/10.1002/adsc.201500762\">https://doi.org/10.1002/adsc.201500762</a>"}},{"citation":{"bibtex":"@article{Schirmer_Spannenberg_Werner_2016, title={Highly functionalized alkenes produced from base-free organocatalytic Wittig reactions: (<i>E</i>)-3-benzylidenepyrrolidine-2,5-dione, (<i>E</i>)-3-benzylidene-1-methylpyrrolidine-2,5-dione and (<i>E</i>)-3-benzylidene-1-<i>tert</i>-butylpyrrolidine-2,5-dione}, volume={72}, DOI={<a href=\"https://doi.org/10.1107/s2053229616008159\">10.1107/s2053229616008159</a>}, number={6}, journal={Acta Crystallographica Section C Structural Chemistry}, publisher={International Union of Crystallography (IUCr)}, author={Schirmer, Marie-Luis and Spannenberg, Anke and Werner, Thomas}, year={2016}, pages={504–508} }","ama":"Schirmer M-L, Spannenberg A, Werner T. Highly functionalized alkenes produced from base-free organocatalytic Wittig reactions: (<i>E</i>)-3-benzylidenepyrrolidine-2,5-dione, (<i>E</i>)-3-benzylidene-1-methylpyrrolidine-2,5-dione and (<i>E</i>)-3-benzylidene-1-<i>tert</i>-butylpyrrolidine-2,5-dione. <i>Acta Crystallographica Section C Structural Chemistry</i>. 2016;72(6):504-508. doi:<a href=\"https://doi.org/10.1107/s2053229616008159\">10.1107/s2053229616008159</a>","mla":"Schirmer, Marie-Luis, et al. “Highly Functionalized Alkenes Produced from Base-Free Organocatalytic Wittig Reactions: (<i>E</i>)-3-Benzylidenepyrrolidine-2,5-Dione, (<i>E</i>)-3-Benzylidene-1-Methylpyrrolidine-2,5-Dione and (<i>E</i>)-3-Benzylidene-1-<i>Tert</i>-Butylpyrrolidine-2,5-Dione.” <i>Acta Crystallographica Section C Structural Chemistry</i>, vol. 72, no. 6, International Union of Crystallography (IUCr), 2016, pp. 504–08, doi:<a href=\"https://doi.org/10.1107/s2053229616008159\">10.1107/s2053229616008159</a>.","chicago":"Schirmer, Marie-Luis, Anke Spannenberg, and Thomas Werner. “Highly Functionalized Alkenes Produced from Base-Free Organocatalytic Wittig Reactions: (<i>E</i>)-3-Benzylidenepyrrolidine-2,5-Dione, (<i>E</i>)-3-Benzylidene-1-Methylpyrrolidine-2,5-Dione and (<i>E</i>)-3-Benzylidene-1-<i>Tert</i>-Butylpyrrolidine-2,5-Dione.” <i>Acta Crystallographica Section C Structural Chemistry</i> 72, no. 6 (2016): 504–8. <a href=\"https://doi.org/10.1107/s2053229616008159\">https://doi.org/10.1107/s2053229616008159</a>.","short":"M.-L. Schirmer, A. Spannenberg, T. Werner, Acta Crystallographica Section C Structural Chemistry 72 (2016) 504–508.","ieee":"M.-L. Schirmer, A. Spannenberg, and T. Werner, “Highly functionalized alkenes produced from base-free organocatalytic Wittig reactions: (<i>E</i>)-3-benzylidenepyrrolidine-2,5-dione, (<i>E</i>)-3-benzylidene-1-methylpyrrolidine-2,5-dione and (<i>E</i>)-3-benzylidene-1-<i>tert</i>-butylpyrrolidine-2,5-dione,” <i>Acta Crystallographica Section C Structural Chemistry</i>, vol. 72, no. 6, pp. 504–508, 2016, doi: <a href=\"https://doi.org/10.1107/s2053229616008159\">10.1107/s2053229616008159</a>.","apa":"Schirmer, M.-L., Spannenberg, A., &#38; Werner, T. (2016). Highly functionalized alkenes produced from base-free organocatalytic Wittig reactions: (<i>E</i>)-3-benzylidenepyrrolidine-2,5-dione, (<i>E</i>)-3-benzylidene-1-methylpyrrolidine-2,5-dione and (<i>E</i>)-3-benzylidene-1-<i>tert</i>-butylpyrrolidine-2,5-dione. <i>Acta Crystallographica Section C Structural Chemistry</i>, <i>72</i>(6), 504–508. <a href=\"https://doi.org/10.1107/s2053229616008159\">https://doi.org/10.1107/s2053229616008159</a>"},"status":"public","volume":72,"user_id":"89271","publisher":"International Union of Crystallography (IUCr)","_id":"37984","page":"504-508","extern":"1","abstract":[{"text":"<jats:p>The Wittig reaction is a fundamental transformation for the preparation of alkenes from carbonyl compounds and phosphonium ylides. The ylides are prepared prior to the olefination step from the respective phosphonium salts by deprotonation utilizing strong bases. A first free-base catalytic Wittig reaction for the preparation of highly functionalized alkenes was based on tributylphosphane as the catalyst. Subsequently we developed a system employing a phospholene oxide as a pre-catalyst and trimethoxysilane as reducing agent which operates under milder conditions. The title compounds, (<jats:italic>E</jats:italic>)-3-benzylidenepyrrolidine-2,5-dione, C<jats:sub>11</jats:sub>H<jats:sub>9</jats:sub>NO<jats:sub>2</jats:sub>, (I), the methylpyrrolidine derivative, C<jats:sub>12</jats:sub>H<jats:sub>11</jats:sub>NO<jats:sub>2</jats:sub>, (II), and the<jats:italic>tert-</jats:italic>butylpyrrolidine derivative, C<jats:sub>15</jats:sub>H<jats:sub>17</jats:sub>NO<jats:sub>2</jats:sub>, (III), have been synthesized by base-free catalytic Wittig reactions. In the crystal of (I), molecules are linked into centrosymmetric dimers<jats:italic>via</jats:italic>pairs of N—H...O hydrogen bonds. Furthermore, in the crystal structure of (III), there are two molecules in the asymmetric unit, whereas in (I) and (II), only one molecule is present.</jats:p>","lang":"eng"}],"issue":"6","publication":"Acta Crystallographica Section C Structural Chemistry","department":[{"_id":"35"},{"_id":"2"},{"_id":"657"}],"keyword":["T2"],"type":"journal_article","date_created":"2023-01-22T21:03:23Z","intvolume":"        72","publication_status":"published","date_updated":"2025-11-10T09:23:46Z","author":[{"full_name":"Schirmer, Marie-Luis","first_name":"Marie-Luis","last_name":"Schirmer"},{"last_name":"Spannenberg","first_name":"Anke","full_name":"Spannenberg, Anke"},{"id":"89271","orcid":"0000-0001-9025-3244","first_name":"Thomas","last_name":"Werner","full_name":"Werner, Thomas"}],"publication_identifier":{"issn":["2053-2296"]},"year":"2016","title":"Highly functionalized alkenes produced from base-free organocatalytic Wittig reactions: (<i>E</i>)-3-benzylidenepyrrolidine-2,5-dione, (<i>E</i>)-3-benzylidene-1-methylpyrrolidine-2,5-dione and (<i>E</i>)-3-benzylidene-1-<i>tert</i>-butylpyrrolidine-2,5-dione","doi":"10.1107/s2053229616008159","language":[{"iso":"eng"}]},{"year":"2016","title":"Atom economical synthesis of di- and trithiocarbonates by the lithium tert-butoxide catalyzed addition of carbon disulfide to epoxides and thiiranes","author":[{"last_name":"Diebler","first_name":"J.","full_name":"Diebler, J."},{"first_name":"A.","last_name":"Spannenberg","full_name":"Spannenberg, A."},{"id":"89271","first_name":"Thomas","orcid":"0000-0001-9025-3244","last_name":"Werner","full_name":"Werner, Thomas"}],"publication_identifier":{"issn":["1477-0520","1477-0539"]},"date_updated":"2025-11-10T09:24:16Z","publication_status":"published","intvolume":"        14","language":[{"iso":"eng"}],"doi":"10.1039/c6ob01081d","publication":"Organic and Biomolecular Chemistry","issue":"31","abstract":[{"text":"<p>The lithium <italic>tert</italic>-butoxide catalyzed addition of CS<sub>2</sub> to epoxides and thiiranes under mild conditions is reported. A mechanism has been proposed taking into account the regio- and stereochemical outcome of the reaction.</p>","lang":"eng"}],"extern":"1","date_created":"2023-01-22T21:01:59Z","type":"journal_article","keyword":["CSSD"],"department":[{"_id":"35"},{"_id":"2"},{"_id":"657"}],"status":"public","page":"7480-7489","publisher":"Royal Society of Chemistry (RSC)","_id":"37981","user_id":"89271","volume":14,"citation":{"short":"J. Diebler, A. Spannenberg, T. Werner, Organic and Biomolecular Chemistry 14 (2016) 7480–7489.","chicago":"Diebler, J., A. Spannenberg, and Thomas Werner. “Atom Economical Synthesis of Di- and Trithiocarbonates by the Lithium Tert-Butoxide Catalyzed Addition of Carbon Disulfide to Epoxides and Thiiranes.” <i>Organic and Biomolecular Chemistry</i> 14, no. 31 (2016): 7480–89. <a href=\"https://doi.org/10.1039/c6ob01081d\">https://doi.org/10.1039/c6ob01081d</a>.","apa":"Diebler, J., Spannenberg, A., &#38; Werner, T. (2016). Atom economical synthesis of di- and trithiocarbonates by the lithium tert-butoxide catalyzed addition of carbon disulfide to epoxides and thiiranes. <i>Organic and Biomolecular Chemistry</i>, <i>14</i>(31), 7480–7489. <a href=\"https://doi.org/10.1039/c6ob01081d\">https://doi.org/10.1039/c6ob01081d</a>","ieee":"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,” <i>Organic and Biomolecular Chemistry</i>, vol. 14, no. 31, pp. 7480–7489, 2016, doi: <a href=\"https://doi.org/10.1039/c6ob01081d\">10.1039/c6ob01081d</a>.","ama":"Diebler J, Spannenberg A, Werner T. Atom economical synthesis of di- and trithiocarbonates by the lithium tert-butoxide catalyzed addition of carbon disulfide to epoxides and thiiranes. <i>Organic and Biomolecular Chemistry</i>. 2016;14(31):7480-7489. doi:<a href=\"https://doi.org/10.1039/c6ob01081d\">10.1039/c6ob01081d</a>","bibtex":"@article{Diebler_Spannenberg_Werner_2016, title={Atom economical synthesis of di- and trithiocarbonates by the lithium tert-butoxide catalyzed addition of carbon disulfide to epoxides and thiiranes}, volume={14}, DOI={<a href=\"https://doi.org/10.1039/c6ob01081d\">10.1039/c6ob01081d</a>}, number={31}, journal={Organic and Biomolecular Chemistry}, publisher={Royal Society of Chemistry (RSC)}, author={Diebler, J. and Spannenberg, A. and Werner, Thomas}, year={2016}, pages={7480–7489} }","mla":"Diebler, J., et al. “Atom Economical Synthesis of Di- and Trithiocarbonates by the Lithium Tert-Butoxide Catalyzed Addition of Carbon Disulfide to Epoxides and Thiiranes.” <i>Organic and Biomolecular Chemistry</i>, vol. 14, no. 31, Royal Society of Chemistry (RSC), 2016, pp. 7480–89, doi:<a href=\"https://doi.org/10.1039/c6ob01081d\">10.1039/c6ob01081d</a>."}},{"year":"2016","title":"A novel zinc based binary catalytic system for CO<sub>2</sub>utilization under mild conditions","publication_identifier":{"issn":["2052-4129"]},"author":[{"full_name":"Desens, Willi","last_name":"Desens","first_name":"Willi"},{"first_name":"Christina","last_name":"Kohrt","full_name":"Kohrt, Christina"},{"last_name":"Spannenberg","first_name":"Anke","full_name":"Spannenberg, Anke"},{"id":"89271","orcid":"0000-0001-9025-3244","first_name":"Thomas","last_name":"Werner","full_name":"Werner, Thomas"}],"publication_status":"published","date_updated":"2025-11-10T09:26:28Z","intvolume":"         3","language":[{"iso":"eng"}],"doi":"10.1039/c5qo00356c","issue":"2","publication":"Organic Chemistry Frontiers","extern":"1","abstract":[{"text":"<p>A novel zinc based binary catalytic system for the synthesis of cyclic carbonates under mild and solvent-free conditions utilizing CO<sub>2</sub>as a C1 building block is reported.</p>","lang":"eng"}],"date_created":"2023-01-22T21:04:30Z","keyword":["T1","T3","CSSD"],"type":"journal_article","department":[{"_id":"35"},{"_id":"2"},{"_id":"657"}],"status":"public","page":"156-164","_id":"37987","publisher":"Royal Society of Chemistry (RSC)","user_id":"89271","volume":3,"citation":{"mla":"Desens, Willi, et al. “A Novel Zinc Based Binary Catalytic System for CO<sub>2</sub>Utilization under Mild Conditions.” <i>Organic Chemistry Frontiers</i>, vol. 3, no. 2, Royal Society of Chemistry (RSC), 2016, pp. 156–64, doi:<a href=\"https://doi.org/10.1039/c5qo00356c\">10.1039/c5qo00356c</a>.","ama":"Desens W, Kohrt C, Spannenberg A, Werner T. A novel zinc based binary catalytic system for CO<sub>2</sub>utilization under mild conditions. <i>Organic Chemistry Frontiers</i>. 2016;3(2):156-164. doi:<a href=\"https://doi.org/10.1039/c5qo00356c\">10.1039/c5qo00356c</a>","bibtex":"@article{Desens_Kohrt_Spannenberg_Werner_2016, title={A novel zinc based binary catalytic system for CO<sub>2</sub>utilization under mild conditions}, volume={3}, DOI={<a href=\"https://doi.org/10.1039/c5qo00356c\">10.1039/c5qo00356c</a>}, number={2}, journal={Organic Chemistry Frontiers}, publisher={Royal Society of Chemistry (RSC)}, author={Desens, Willi and Kohrt, Christina and Spannenberg, Anke and Werner, Thomas}, year={2016}, pages={156–164} }","apa":"Desens, W., Kohrt, C., Spannenberg, A., &#38; Werner, T. (2016). A novel zinc based binary catalytic system for CO<sub>2</sub>utilization under mild conditions. <i>Organic Chemistry Frontiers</i>, <i>3</i>(2), 156–164. <a href=\"https://doi.org/10.1039/c5qo00356c\">https://doi.org/10.1039/c5qo00356c</a>","ieee":"W. Desens, C. Kohrt, A. Spannenberg, and T. Werner, “A novel zinc based binary catalytic system for CO<sub>2</sub>utilization under mild conditions,” <i>Organic Chemistry Frontiers</i>, vol. 3, no. 2, pp. 156–164, 2016, doi: <a href=\"https://doi.org/10.1039/c5qo00356c\">10.1039/c5qo00356c</a>.","chicago":"Desens, Willi, Christina Kohrt, Anke Spannenberg, and Thomas Werner. “A Novel Zinc Based Binary Catalytic System for CO<sub>2</sub>Utilization under Mild Conditions.” <i>Organic Chemistry Frontiers</i> 3, no. 2 (2016): 156–64. <a href=\"https://doi.org/10.1039/c5qo00356c\">https://doi.org/10.1039/c5qo00356c</a>.","short":"W. Desens, C. Kohrt, A. Spannenberg, T. Werner, Organic Chemistry Frontiers 3 (2016) 156–164."}},{"citation":{"ieee":"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,” <i>Macromolecules</i>, vol. 49, no. 13, pp. 4723–4731, 2016, doi: <a href=\"https://doi.org/10.1021/acs.macromol.6b00728\">10.1021/acs.macromol.6b00728</a>.","apa":"Diebler, J., Komber, H., Häußler, L., Lederer, A., &#38; Werner, T. (2016). Alkoxide-Initiated Regioselective Coupling of Carbon Disulfide and Terminal Epoxides for the Synthesis of Strongly Alternating Copolymers. <i>Macromolecules</i>, <i>49</i>(13), 4723–4731. <a href=\"https://doi.org/10.1021/acs.macromol.6b00728\">https://doi.org/10.1021/acs.macromol.6b00728</a>","short":"J. Diebler, H. Komber, L. Häußler, A. Lederer, T. Werner, Macromolecules 49 (2016) 4723–4731.","chicago":"Diebler, Johannes, Hartmut Komber, Liane Häußler, Albena Lederer, and Thomas Werner. “Alkoxide-Initiated Regioselective Coupling of Carbon Disulfide and Terminal Epoxides for the Synthesis of Strongly Alternating Copolymers.” <i>Macromolecules</i> 49, no. 13 (2016): 4723–31. <a href=\"https://doi.org/10.1021/acs.macromol.6b00728\">https://doi.org/10.1021/acs.macromol.6b00728</a>.","mla":"Diebler, Johannes, et al. “Alkoxide-Initiated Regioselective Coupling of Carbon Disulfide and Terminal Epoxides for the Synthesis of Strongly Alternating Copolymers.” <i>Macromolecules</i>, vol. 49, no. 13, American Chemical Society (ACS), 2016, pp. 4723–31, doi:<a href=\"https://doi.org/10.1021/acs.macromol.6b00728\">10.1021/acs.macromol.6b00728</a>.","bibtex":"@article{Diebler_Komber_Häußler_Lederer_Werner_2016, title={Alkoxide-Initiated Regioselective Coupling of Carbon Disulfide and Terminal Epoxides for the Synthesis of Strongly Alternating Copolymers}, volume={49}, DOI={<a href=\"https://doi.org/10.1021/acs.macromol.6b00728\">10.1021/acs.macromol.6b00728</a>}, number={13}, journal={Macromolecules}, publisher={American Chemical Society (ACS)}, author={Diebler, Johannes and Komber, Hartmut and Häußler, Liane and Lederer, Albena and Werner, Thomas}, year={2016}, pages={4723–4731} }","ama":"Diebler J, Komber H, Häußler L, Lederer A, Werner T. Alkoxide-Initiated Regioselective Coupling of Carbon Disulfide and Terminal Epoxides for the Synthesis of Strongly Alternating Copolymers. <i>Macromolecules</i>. 2016;49(13):4723-4731. doi:<a href=\"https://doi.org/10.1021/acs.macromol.6b00728\">10.1021/acs.macromol.6b00728</a>"},"_id":"37982","publisher":"American Chemical Society (ACS)","page":"4723-4731","volume":49,"user_id":"89271","status":"public","date_created":"2023-01-22T21:02:41Z","department":[{"_id":"35"},{"_id":"2"},{"_id":"657"}],"type":"journal_article","keyword":["CSSD"],"issue":"13","publication":"Macromolecules","extern":"1","language":[{"iso":"eng"}],"doi":"10.1021/acs.macromol.6b00728","publication_identifier":{"issn":["0024-9297","1520-5835"]},"author":[{"full_name":"Diebler, Johannes","first_name":"Johannes","last_name":"Diebler"},{"last_name":"Komber","first_name":"Hartmut","full_name":"Komber, Hartmut"},{"first_name":"Liane","last_name":"Häußler","full_name":"Häußler, Liane"},{"last_name":"Lederer","first_name":"Albena","full_name":"Lederer, Albena"},{"full_name":"Werner, Thomas","first_name":"Thomas","orcid":"0000-0001-9025-3244","last_name":"Werner","id":"89271"}],"title":"Alkoxide-Initiated Regioselective Coupling of Carbon Disulfide and Terminal Epoxides for the Synthesis of Strongly Alternating Copolymers","year":"2016","intvolume":"        49","date_updated":"2025-11-10T09:25:16Z","publication_status":"published"},{"page":"4805-4814","_id":"37980","publisher":"American Chemical Society (ACS)","user_id":"89271","volume":4,"status":"public","citation":{"apa":"Büttner, H., Grimmer, C., Steinbauer, J., &#38; Werner, T. (2016). Iron-Based Binary Catalytic System for the Valorization of CO<sub>2</sub> into Biobased Cyclic Carbonates. <i>ACS Sustainable Chemistry &#38;amp; Engineering</i>, <i>4</i>(9), 4805–4814. <a href=\"https://doi.org/10.1021/acssuschemeng.6b01092\">https://doi.org/10.1021/acssuschemeng.6b01092</a>","mla":"Büttner, Hendrik, et al. “Iron-Based Binary Catalytic System for the Valorization of CO<sub>2</sub> into Biobased Cyclic Carbonates.” <i>ACS Sustainable Chemistry &#38;amp; Engineering</i>, vol. 4, no. 9, American Chemical Society (ACS), 2016, pp. 4805–14, doi:<a href=\"https://doi.org/10.1021/acssuschemeng.6b01092\">10.1021/acssuschemeng.6b01092</a>.","ieee":"H. Büttner, C. Grimmer, J. Steinbauer, and T. Werner, “Iron-Based Binary Catalytic System for the Valorization of CO<sub>2</sub> into Biobased Cyclic Carbonates,” <i>ACS Sustainable Chemistry &#38;amp; Engineering</i>, vol. 4, no. 9, pp. 4805–4814, 2016, doi: <a href=\"https://doi.org/10.1021/acssuschemeng.6b01092\">10.1021/acssuschemeng.6b01092</a>.","ama":"Büttner H, Grimmer C, Steinbauer J, Werner T. Iron-Based Binary Catalytic System for the Valorization of CO<sub>2</sub> into Biobased Cyclic Carbonates. <i>ACS Sustainable Chemistry &#38;amp; Engineering</i>. 2016;4(9):4805-4814. doi:<a href=\"https://doi.org/10.1021/acssuschemeng.6b01092\">10.1021/acssuschemeng.6b01092</a>","short":"H. Büttner, C. Grimmer, J. Steinbauer, T. Werner, ACS Sustainable Chemistry &#38;amp; Engineering 4 (2016) 4805–4814.","chicago":"Büttner, Hendrik, Christoph Grimmer, Johannes Steinbauer, and Thomas Werner. “Iron-Based Binary Catalytic System for the Valorization of CO<sub>2</sub> into Biobased Cyclic Carbonates.” <i>ACS Sustainable Chemistry &#38;amp; Engineering</i> 4, no. 9 (2016): 4805–14. <a href=\"https://doi.org/10.1021/acssuschemeng.6b01092\">https://doi.org/10.1021/acssuschemeng.6b01092</a>.","bibtex":"@article{Büttner_Grimmer_Steinbauer_Werner_2016, title={Iron-Based Binary Catalytic System for the Valorization of CO<sub>2</sub> into Biobased Cyclic Carbonates}, volume={4}, DOI={<a href=\"https://doi.org/10.1021/acssuschemeng.6b01092\">10.1021/acssuschemeng.6b01092</a>}, number={9}, journal={ACS Sustainable Chemistry &#38;amp; Engineering}, publisher={American Chemical Society (ACS)}, author={Büttner, Hendrik and Grimmer, Christoph and Steinbauer, Johannes and Werner, Thomas}, year={2016}, pages={4805–4814} }"},"language":[{"iso":"eng"}],"doi":"10.1021/acssuschemeng.6b01092","year":"2016","title":"Iron-Based Binary Catalytic System for the Valorization of CO<sub>2</sub> into Biobased Cyclic Carbonates","publication_identifier":{"issn":["2168-0485","2168-0485"]},"author":[{"first_name":"Hendrik","last_name":"Büttner","full_name":"Büttner, Hendrik"},{"last_name":"Grimmer","first_name":"Christoph","full_name":"Grimmer, Christoph"},{"last_name":"Steinbauer","first_name":"Johannes","full_name":"Steinbauer, Johannes"},{"id":"89271","full_name":"Werner, Thomas","last_name":"Werner","orcid":"0000-0001-9025-3244","first_name":"Thomas"}],"date_updated":"2025-11-10T09:26:56Z","publication_status":"published","intvolume":"         4","date_created":"2023-01-22T21:01:04Z","type":"journal_article","keyword":["T1","T3","CSSD"],"department":[{"_id":"35"},{"_id":"2"},{"_id":"657"}],"issue":"9","publication":"ACS Sustainable Chemistry &amp; Engineering","extern":"1"},{"language":[{"iso":"eng"}],"doi":"10.1002/chem.201503744","author":[{"last_name":"Schirmer","first_name":"Marie-Luis","full_name":"Schirmer, Marie-Luis"},{"full_name":"Adomeit, Sven","first_name":"Sven","last_name":"Adomeit"},{"last_name":"Spannenberg","first_name":"Anke","full_name":"Spannenberg, Anke"},{"full_name":"Werner, Thomas","first_name":"Thomas","orcid":"0000-0001-9025-3244","last_name":"Werner","id":"89271"}],"publication_identifier":{"issn":["0947-6539"]},"year":"2016","title":"Novel Base-Free Catalytic Wittig Reaction for the Synthesis of Highly Functionalized Alkenes","intvolume":"        22","publication_status":"published","date_updated":"2025-11-10T09:23:00Z","date_created":"2023-01-22T21:04:06Z","department":[{"_id":"35"},{"_id":"2"},{"_id":"657"}],"keyword":["T2","CSSD"],"type":"journal_article","issue":"7","publication":"Chemistry - A European Journal","extern":"1","_id":"37986","publisher":"Wiley","page":"2458-2465","volume":22,"user_id":"89271","status":"public","citation":{"apa":"Schirmer, M.-L., Adomeit, S., Spannenberg, A., &#38; Werner, T. (2016). Novel Base-Free Catalytic Wittig Reaction for the Synthesis of Highly Functionalized Alkenes. <i>Chemistry - A European Journal</i>, <i>22</i>(7), 2458–2465. <a href=\"https://doi.org/10.1002/chem.201503744\">https://doi.org/10.1002/chem.201503744</a>","ieee":"M.-L. Schirmer, S. Adomeit, A. Spannenberg, and T. Werner, “Novel Base-Free Catalytic Wittig Reaction for the Synthesis of Highly Functionalized Alkenes,” <i>Chemistry - A European Journal</i>, vol. 22, no. 7, pp. 2458–2465, 2016, doi: <a href=\"https://doi.org/10.1002/chem.201503744\">10.1002/chem.201503744</a>.","short":"M.-L. Schirmer, S. Adomeit, A. Spannenberg, T. Werner, Chemistry - A European Journal 22 (2016) 2458–2465.","chicago":"Schirmer, Marie-Luis, Sven Adomeit, Anke Spannenberg, and Thomas Werner. “Novel Base-Free Catalytic Wittig Reaction for the Synthesis of Highly Functionalized Alkenes.” <i>Chemistry - A European Journal</i> 22, no. 7 (2016): 2458–65. <a href=\"https://doi.org/10.1002/chem.201503744\">https://doi.org/10.1002/chem.201503744</a>.","mla":"Schirmer, Marie-Luis, et al. “Novel Base-Free Catalytic Wittig Reaction for the Synthesis of Highly Functionalized Alkenes.” <i>Chemistry - A European Journal</i>, vol. 22, no. 7, Wiley, 2016, pp. 2458–65, doi:<a href=\"https://doi.org/10.1002/chem.201503744\">10.1002/chem.201503744</a>.","ama":"Schirmer M-L, Adomeit S, Spannenberg A, Werner T. Novel Base-Free Catalytic Wittig Reaction for the Synthesis of Highly Functionalized Alkenes. <i>Chemistry - A European Journal</i>. 2016;22(7):2458-2465. doi:<a href=\"https://doi.org/10.1002/chem.201503744\">10.1002/chem.201503744</a>","bibtex":"@article{Schirmer_Adomeit_Spannenberg_Werner_2016, title={Novel Base-Free Catalytic Wittig Reaction for the Synthesis of Highly Functionalized Alkenes}, volume={22}, DOI={<a href=\"https://doi.org/10.1002/chem.201503744\">10.1002/chem.201503744</a>}, number={7}, journal={Chemistry - A European Journal}, publisher={Wiley}, author={Schirmer, Marie-Luis and Adomeit, Sven and Spannenberg, Anke and Werner, Thomas}, year={2016}, pages={2458–2465} }"}},{"citation":{"bibtex":"@article{Diebler_Spannenberg_Werner_2016, title={Regio- and Stereoselective Synthesis of Dithiocarbonates under Ambient and Solvent-Free Conditions}, volume={8}, DOI={<a href=\"https://doi.org/10.1002/cctc.201600242\">10.1002/cctc.201600242</a>}, number={12}, journal={ChemCatChem}, publisher={Wiley}, author={Diebler, Johannes and Spannenberg, Anke and Werner, Thomas}, year={2016}, pages={2027–2030} }","ama":"Diebler J, Spannenberg A, Werner T. Regio- and Stereoselective Synthesis of Dithiocarbonates under Ambient and Solvent-Free Conditions. <i>ChemCatChem</i>. 2016;8(12):2027-2030. doi:<a href=\"https://doi.org/10.1002/cctc.201600242\">10.1002/cctc.201600242</a>","mla":"Diebler, Johannes, et al. “Regio- and Stereoselective Synthesis of Dithiocarbonates under Ambient and Solvent-Free Conditions.” <i>ChemCatChem</i>, vol. 8, no. 12, Wiley, 2016, pp. 2027–30, doi:<a href=\"https://doi.org/10.1002/cctc.201600242\">10.1002/cctc.201600242</a>.","short":"J. Diebler, A. Spannenberg, T. Werner, ChemCatChem 8 (2016) 2027–2030.","chicago":"Diebler, Johannes, Anke Spannenberg, and Thomas Werner. “Regio- and Stereoselective Synthesis of Dithiocarbonates under Ambient and Solvent-Free Conditions.” <i>ChemCatChem</i> 8, no. 12 (2016): 2027–30. <a href=\"https://doi.org/10.1002/cctc.201600242\">https://doi.org/10.1002/cctc.201600242</a>.","ieee":"J. Diebler, A. Spannenberg, and T. Werner, “Regio- and Stereoselective Synthesis of Dithiocarbonates under Ambient and Solvent-Free Conditions,” <i>ChemCatChem</i>, vol. 8, no. 12, pp. 2027–2030, 2016, doi: <a href=\"https://doi.org/10.1002/cctc.201600242\">10.1002/cctc.201600242</a>.","apa":"Diebler, J., Spannenberg, A., &#38; Werner, T. (2016). Regio- and Stereoselective Synthesis of Dithiocarbonates under Ambient and Solvent-Free Conditions. <i>ChemCatChem</i>, <i>8</i>(12), 2027–2030. <a href=\"https://doi.org/10.1002/cctc.201600242\">https://doi.org/10.1002/cctc.201600242</a>"},"publisher":"Wiley","_id":"37985","page":"2027-2030","volume":8,"user_id":"89271","status":"public","date_created":"2023-01-22T21:03:46Z","department":[{"_id":"35"},{"_id":"2"},{"_id":"657"}],"keyword":["CSSD"],"type":"journal_article","issue":"12","publication":"ChemCatChem","extern":"1","language":[{"iso":"eng"}],"doi":"10.1002/cctc.201600242","author":[{"first_name":"Johannes","last_name":"Diebler","full_name":"Diebler, Johannes"},{"last_name":"Spannenberg","first_name":"Anke","full_name":"Spannenberg, Anke"},{"id":"89271","first_name":"Thomas","orcid":"0000-0001-9025-3244","last_name":"Werner","full_name":"Werner, Thomas"}],"publication_identifier":{"issn":["1867-3880"]},"title":"Regio- and Stereoselective Synthesis of Dithiocarbonates under Ambient and Solvent-Free Conditions","year":"2016","intvolume":"         8","date_updated":"2025-11-10T09:24:45Z","publication_status":"published"},{"citation":{"mla":"Desens, Willi, and Thomas Werner. “Convergent Activation Concept for CO<sub>2</sub>Fixation in Carbonates.” <i>Advanced Synthesis and Catalysis</i>, vol. 358, no. 4, Wiley, 2016, pp. 622–30, doi:<a href=\"https://doi.org/10.1002/adsc.201500941\">10.1002/adsc.201500941</a>.","bibtex":"@article{Desens_Werner_2016, title={Convergent Activation Concept for CO<sub>2</sub>Fixation in Carbonates}, volume={358}, DOI={<a href=\"https://doi.org/10.1002/adsc.201500941\">10.1002/adsc.201500941</a>}, number={4}, journal={Advanced Synthesis and Catalysis}, publisher={Wiley}, author={Desens, Willi and Werner, Thomas}, year={2016}, pages={622–630} }","ama":"Desens W, Werner T. Convergent Activation Concept for CO<sub>2</sub>Fixation in Carbonates. <i>Advanced Synthesis and Catalysis</i>. 2016;358(4):622-630. doi:<a href=\"https://doi.org/10.1002/adsc.201500941\">10.1002/adsc.201500941</a>","ieee":"W. Desens and T. Werner, “Convergent Activation Concept for CO<sub>2</sub>Fixation in Carbonates,” <i>Advanced Synthesis and Catalysis</i>, vol. 358, no. 4, pp. 622–630, 2016, doi: <a href=\"https://doi.org/10.1002/adsc.201500941\">10.1002/adsc.201500941</a>.","apa":"Desens, W., &#38; Werner, T. (2016). Convergent Activation Concept for CO<sub>2</sub>Fixation in Carbonates. <i>Advanced Synthesis and Catalysis</i>, <i>358</i>(4), 622–630. <a href=\"https://doi.org/10.1002/adsc.201500941\">https://doi.org/10.1002/adsc.201500941</a>","chicago":"Desens, Willi, and Thomas Werner. “Convergent Activation Concept for CO<sub>2</sub>Fixation in Carbonates.” <i>Advanced Synthesis and Catalysis</i> 358, no. 4 (2016): 622–30. <a href=\"https://doi.org/10.1002/adsc.201500941\">https://doi.org/10.1002/adsc.201500941</a>.","short":"W. Desens, T. Werner, Advanced Synthesis and Catalysis 358 (2016) 622–630."},"status":"public","page":"622-630","_id":"37988","publisher":"Wiley","user_id":"89271","volume":358,"issue":"4","publication":"Advanced Synthesis and Catalysis","extern":"1","date_created":"2023-01-22T21:04:52Z","type":"journal_article","keyword":["T1","CSSD"],"department":[{"_id":"35"},{"_id":"2"},{"_id":"657"}],"year":"2016","title":"Convergent Activation Concept for CO<sub>2</sub>Fixation in Carbonates","author":[{"full_name":"Desens, Willi","first_name":"Willi","last_name":"Desens"},{"first_name":"Thomas","last_name":"Werner","orcid":"0000-0001-9025-3244","full_name":"Werner, Thomas","id":"89271"}],"publication_identifier":{"issn":["1615-4150"]},"publication_status":"published","date_updated":"2025-11-10T09:25:53Z","intvolume":"       358","language":[{"iso":"eng"}],"doi":"10.1002/adsc.201500941"},{"language":[{"iso":"eng"}],"doi":"10.1002/pamm.201610179","publication_identifier":{"issn":["1617-7061","1617-7061"]},"author":[{"id":"106876","full_name":"Ostwald, Richard","last_name":"Ostwald","orcid":"0000-0003-2147-8444","first_name":"Richard"},{"full_name":"Bartel, Thorsten","last_name":"Bartel","first_name":"Thorsten"},{"full_name":"Menzel, Andreas","last_name":"Menzel","first_name":"Andreas"}],"year":"2016","title":"Extending a finite strain hyperelastic micro‐sphere framework towards phase transformations","intvolume":"        16","date_updated":"2025-12-03T13:10:01Z","publication_status":"published","date_created":"2025-12-03T13:09:18Z","department":[{"_id":"952"},{"_id":"321"}],"type":"journal_article","issue":"1","publication":"PAMM","abstract":[{"lang":"eng","text":"<jats:title>Abstract</jats:title><jats:p>A finite strain micro‐sphere framework for hyperelastic solids elaborated by Carol et al. is extended towards the modelling of phase transformations in order to simulate polycrystalline solids under large deformations such as, e.g., shape memory alloys and shape memory polymers. The implemented phase transformation mechanism is based on statistical physics and is not restricted in terms of the number of solid material phases that can be considered, though we restrict the provided examples to two phases for the sake of conceptual clarity. The specifically chosen non‐quadratic format of the Helmholtz free energy functions considered on the micro‐plane level includes Bain‐type transformation strains for each of the phases considered. Following the Voigt assumption on the micro‐scale, identical total micro‐stretches act in each of the material phases, where a multiplicative decomposition into elastic and transformation‐related contributions is applied. (© 2016 Wiley‐VCH Verlag GmbH &amp; Co. KGaA, Weinheim)</jats:p>"}],"_id":"62782","publisher":"Wiley","page":"381-382","volume":16,"user_id":"85414","status":"public","citation":{"apa":"Ostwald, R., Bartel, T., &#38; Menzel, A. (2016). Extending a finite strain hyperelastic micro‐sphere framework towards phase transformations. <i>PAMM</i>, <i>16</i>(1), 381–382. <a href=\"https://doi.org/10.1002/pamm.201610179\">https://doi.org/10.1002/pamm.201610179</a>","ieee":"R. Ostwald, T. Bartel, and A. Menzel, “Extending a finite strain hyperelastic micro‐sphere framework towards phase transformations,” <i>PAMM</i>, vol. 16, no. 1, pp. 381–382, 2016, doi: <a href=\"https://doi.org/10.1002/pamm.201610179\">10.1002/pamm.201610179</a>.","short":"R. Ostwald, T. Bartel, A. Menzel, PAMM 16 (2016) 381–382.","chicago":"Ostwald, Richard, Thorsten Bartel, and Andreas Menzel. “Extending a Finite Strain Hyperelastic Micro‐sphere Framework towards Phase Transformations.” <i>PAMM</i> 16, no. 1 (2016): 381–82. <a href=\"https://doi.org/10.1002/pamm.201610179\">https://doi.org/10.1002/pamm.201610179</a>.","mla":"Ostwald, Richard, et al. “Extending a Finite Strain Hyperelastic Micro‐sphere Framework towards Phase Transformations.” <i>PAMM</i>, vol. 16, no. 1, Wiley, 2016, pp. 381–82, doi:<a href=\"https://doi.org/10.1002/pamm.201610179\">10.1002/pamm.201610179</a>.","ama":"Ostwald R, Bartel T, Menzel A. Extending a finite strain hyperelastic micro‐sphere framework towards phase transformations. <i>PAMM</i>. 2016;16(1):381-382. doi:<a href=\"https://doi.org/10.1002/pamm.201610179\">10.1002/pamm.201610179</a>","bibtex":"@article{Ostwald_Bartel_Menzel_2016, title={Extending a finite strain hyperelastic micro‐sphere framework towards phase transformations}, volume={16}, DOI={<a href=\"https://doi.org/10.1002/pamm.201610179\">10.1002/pamm.201610179</a>}, number={1}, journal={PAMM}, publisher={Wiley}, author={Ostwald, Richard and Bartel, Thorsten and Menzel, Andreas}, year={2016}, pages={381–382} }"},"quality_controlled":"1"},{"publication_status":"published","date_updated":"2025-12-04T12:19:23Z","author":[{"last_name":"Wenzel","first_name":"M.","full_name":"Wenzel, M."},{"id":"117735","last_name":"Schnaars","first_name":"Kathleen","full_name":"Schnaars, Kathleen"},{"full_name":"Kelly, N.","first_name":"N.","last_name":"Kelly"},{"last_name":"Götzke","first_name":"L.","full_name":"Götzke, L."},{"full_name":"Robles, S. M.","last_name":"Robles","first_name":"S. M."},{"first_name":"K.","last_name":"Kretschmer","full_name":"Kretschmer, K."},{"full_name":"Le, Phuc Nguyen","last_name":"Le","first_name":"Phuc Nguyen"},{"first_name":"Dang Thanh","last_name":"Tung","full_name":"Tung, Dang Thanh"},{"first_name":"Nguyen Huu","last_name":"Luong","full_name":"Luong, Nguyen Huu"},{"last_name":"Duc","first_name":"Nguyen Anh","full_name":"Duc, Nguyen Anh"},{"first_name":"Dang Van","last_name":"Sy","full_name":"Sy, Dang Van"},{"last_name":"Gloe","first_name":"K.","full_name":"Gloe, K."},{"full_name":"Weigand, J. J.","last_name":"Weigand","first_name":"J. J."}],"publication_identifier":{"isbn":["9783319486161","9783319481357"]},"year":"2016","title":"Hydrometallurgical Recovery of Rare Earth Metals from Spent FCC Catalysts","doi":"10.1007/978-3-319-48135-7_4","language":[{"iso":"eng"}],"extern":"1","abstract":[{"lang":"eng","text":"The recovery of rare earth metals from secondary sources has attracted much attention due to their ever expanding demand in the high-tech industry. The studies reported here focus on the hydrometallurgical recovery of lanthanum and cerium from spent fluid catalytic cracking (FCC) catalysts in a two-step process: leaching with nitric acid and solvent extraction by tri-n-butyl phosphate (TBP) and di(2-ethylhexyl)phosphoric acid (D2EHPA). The experiments show a high dissolution yield of about 93% lanthanum and 42% cerium in a single leaching step with 2 M (126 g/L) HNO3 at 80 °C; only 11% aluminum has been dissolved simultaneously. In the subsequent solvent extraction step the best results for this leach liquor could be achieved using a 1:1 mixture of 25% (v/v) TBP (0.92 M) and 25% (v/v) D2EHPA (0.76 M) in n-decane without the need for any pH adjustment. In that case La(III) and Ce(III) can be extracted with 60% and 74% yield respectively in one stage from the majority of accompanying matrix elements. In particular no extraction of Al(III) could be observed under these conditions."}],"publication":"Rare Metal Technology 2016","department":[{"_id":"985"}],"type":"book_chapter","date_created":"2025-12-04T12:15:35Z","status":"public","user_id":"117735","publisher":"Springer International Publishing","_id":"62857","quality_controlled":"1","citation":{"ieee":"M. Wenzel <i>et al.</i>, “Hydrometallurgical Recovery of Rare Earth Metals from Spent FCC Catalysts,” in <i>Rare Metal Technology 2016</i>, Cham: Springer International Publishing, 2016.","apa":"Wenzel, M., Schnaars, K., Kelly, N., Götzke, L., Robles, S. M., Kretschmer, K., Le, P. N., Tung, D. T., Luong, N. H., Duc, N. A., Sy, D. V., Gloe, K., &#38; Weigand, J. J. (2016). Hydrometallurgical Recovery of Rare Earth Metals from Spent FCC Catalysts. In <i>Rare Metal Technology 2016</i>. Springer International Publishing. <a href=\"https://doi.org/10.1007/978-3-319-48135-7_4\">https://doi.org/10.1007/978-3-319-48135-7_4</a>","short":"M. Wenzel, K. Schnaars, N. Kelly, L. Götzke, S.M. Robles, K. Kretschmer, P.N. Le, D.T. Tung, N.H. Luong, N.A. Duc, D.V. Sy, K. Gloe, J.J. Weigand, in: Rare Metal Technology 2016, Springer International Publishing, Cham, 2016.","chicago":"Wenzel, M., Kathleen Schnaars, N. Kelly, L. Götzke, S. M. Robles, K. Kretschmer, Phuc Nguyen Le, et al. “Hydrometallurgical Recovery of Rare Earth Metals from Spent FCC Catalysts.” In <i>Rare Metal Technology 2016</i>. Cham: Springer International Publishing, 2016. <a href=\"https://doi.org/10.1007/978-3-319-48135-7_4\">https://doi.org/10.1007/978-3-319-48135-7_4</a>.","mla":"Wenzel, M., et al. “Hydrometallurgical Recovery of Rare Earth Metals from Spent FCC Catalysts.” <i>Rare Metal Technology 2016</i>, Springer International Publishing, 2016, doi:<a href=\"https://doi.org/10.1007/978-3-319-48135-7_4\">10.1007/978-3-319-48135-7_4</a>.","bibtex":"@inbook{Wenzel_Schnaars_Kelly_Götzke_Robles_Kretschmer_Le_Tung_Luong_Duc_et al._2016, place={Cham}, title={Hydrometallurgical Recovery of Rare Earth Metals from Spent FCC Catalysts}, DOI={<a href=\"https://doi.org/10.1007/978-3-319-48135-7_4\">10.1007/978-3-319-48135-7_4</a>}, booktitle={Rare Metal Technology 2016}, publisher={Springer International Publishing}, author={Wenzel, M. and Schnaars, Kathleen and Kelly, N. and Götzke, L. and Robles, S. M. and Kretschmer, K. and Le, Phuc Nguyen and Tung, Dang Thanh and Luong, Nguyen Huu and Duc, Nguyen Anh and et al.}, year={2016} }","ama":"Wenzel M, Schnaars K, Kelly N, et al. Hydrometallurgical Recovery of Rare Earth Metals from Spent FCC Catalysts. In: <i>Rare Metal Technology 2016</i>. Springer International Publishing; 2016. doi:<a href=\"https://doi.org/10.1007/978-3-319-48135-7_4\">10.1007/978-3-319-48135-7_4</a>"},"place":"Cham"},{"article_number":"075205","language":[{"iso":"eng"}],"doi":"10.1103/PhysRevB.93.075205","title":"LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling, and thermal effects","year":"2016","author":[{"last_name":"Riefer","first_name":"Arthur","full_name":"Riefer, Arthur"},{"full_name":"Friedrich, Michael","first_name":"Michael","last_name":"Friedrich"},{"last_name":"Sanna","first_name":"Simone","full_name":"Sanna, Simone"},{"full_name":"Gerstmann, Uwe","orcid":"0000-0002-4476-223X","last_name":"Gerstmann","first_name":"Uwe","id":"171"},{"id":"458","full_name":"Schindlmayr, Arno","first_name":"Arno","orcid":"0000-0002-4855-071X","last_name":"Schindlmayr"},{"id":"468","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero"}],"publication_identifier":{"eissn":["2469-9969"],"issn":["2469-9950"]},"date_updated":"2025-12-05T09:59:57Z","publication_status":"published","intvolume":"        93","article_type":"original","file":[{"creator":"schindlm","description":"© 2016 American Physical Society","date_created":"2020-08-27T20:36:43Z","date_updated":"2020-08-30T14:39:23Z","relation":"main_file","access_level":"open_access","file_size":1314637,"file_name":"PhysRevB.93.075205.pdf","title":"LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling, and thermal effects","content_type":"application/pdf","file_id":"18469"}],"date_created":"2019-05-29T07:50:59Z","type":"journal_article","department":[{"_id":"295"},{"_id":"296"},{"_id":"230"},{"_id":"429"},{"_id":"790"},{"_id":"15"},{"_id":"35"},{"_id":"27"}],"publication":"Physical Review B","issue":"7","abstract":[{"text":"The influence of electronic many-body interactions, spin-orbit coupling, and thermal lattice vibrations on the electronic structure of lithium niobate is calculated from first principles. Self-energy calculations in the GW approximation show that the inclusion of self-consistency in the Green function G and the screened Coulomb potential W opens the band gap far stronger than found in previous G0W0 calculations but slightly overestimates its actual value due to the neglect of excitonic effects in W. A realistic frozen-lattice band gap of about 5.9 eV is obtained by combining hybrid density functional theory with the QSGW0 scheme. The renormalization of the band gap due to electron-phonon coupling, derived here using molecular dynamics as well as density functional perturbation theory, reduces this value by about 0.5 eV at room temperature. Spin-orbit coupling does not noticeably modify the fundamental gap but gives rise to a Rashba-like spin texture in the conduction band.","lang":"eng"}],"publisher":"American Physical Society","_id":"10024","ddc":["530"],"user_id":"16199","volume":93,"status":"public","has_accepted_license":"1","external_id":{"isi":["000370794800004"]},"oa":"1","file_date_updated":"2020-08-30T14:39:23Z","citation":{"chicago":"Riefer, Arthur, Michael Friedrich, Simone Sanna, Uwe Gerstmann, Arno Schindlmayr, and Wolf Gero Schmidt. “LiNbO3 Electronic Structure: Many-Body Interactions, Spin-Orbit Coupling, and Thermal Effects.” <i>Physical Review B</i> 93, no. 7 (2016). <a href=\"https://doi.org/10.1103/PhysRevB.93.075205\">https://doi.org/10.1103/PhysRevB.93.075205</a>.","short":"A. Riefer, M. Friedrich, S. Sanna, U. Gerstmann, A. Schindlmayr, W.G. Schmidt, Physical Review B 93 (2016).","apa":"Riefer, A., Friedrich, M., Sanna, S., Gerstmann, U., Schindlmayr, A., &#38; Schmidt, W. G. (2016). LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling, and thermal effects. <i>Physical Review B</i>, <i>93</i>(7), Article 075205. <a href=\"https://doi.org/10.1103/PhysRevB.93.075205\">https://doi.org/10.1103/PhysRevB.93.075205</a>","ieee":"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,” <i>Physical Review B</i>, vol. 93, no. 7, Art. no. 075205, 2016, doi: <a href=\"https://doi.org/10.1103/PhysRevB.93.075205\">10.1103/PhysRevB.93.075205</a>.","ama":"Riefer A, Friedrich M, Sanna S, Gerstmann U, Schindlmayr A, Schmidt WG. LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling, and thermal effects. <i>Physical Review B</i>. 2016;93(7). doi:<a href=\"https://doi.org/10.1103/PhysRevB.93.075205\">10.1103/PhysRevB.93.075205</a>","bibtex":"@article{Riefer_Friedrich_Sanna_Gerstmann_Schindlmayr_Schmidt_2016, title={LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling, and thermal effects}, volume={93}, DOI={<a href=\"https://doi.org/10.1103/PhysRevB.93.075205\">10.1103/PhysRevB.93.075205</a>}, number={7075205}, journal={Physical Review B}, publisher={American Physical Society}, author={Riefer, Arthur and Friedrich, Michael and Sanna, Simone and Gerstmann, Uwe and Schindlmayr, Arno and Schmidt, Wolf Gero}, year={2016} }","mla":"Riefer, Arthur, et al. “LiNbO3 Electronic Structure: Many-Body Interactions, Spin-Orbit Coupling, and Thermal Effects.” <i>Physical Review B</i>, vol. 93, no. 7, 075205, American Physical Society, 2016, doi:<a href=\"https://doi.org/10.1103/PhysRevB.93.075205\">10.1103/PhysRevB.93.075205</a>."},"isi":"1","quality_controlled":"1","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"name":"TRR 142","_id":"53"},{"_id":"55","name":"TRR 142 - Project Area B"},{"_id":"69","name":"TRR 142 - Subproject B4"},{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}]},{"volume":253,"user_id":"16199","ddc":["530"],"_id":"10025","publisher":"Wiley-VCH","page":"683-689","has_accepted_license":"1","status":"public","external_id":{"isi":["000374142500015"]},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"name":"TRR 142","_id":"53"},{"name":"TRR 142 - Project Area B","_id":"55"},{"name":"TRR 142 - Subproject B4","_id":"69"},{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"quality_controlled":"1","citation":{"ama":"Friedrich M, Schindlmayr A, Schmidt WG, Sanna S. LiTaO3 phonon dispersion and ferroelectric transition calculated from first principles. <i>Physica Status Solidi B</i>. 2016;253(4):683-689. doi:<a href=\"https://doi.org/10.1002/pssb.201552576\">10.1002/pssb.201552576</a>","bibtex":"@article{Friedrich_Schindlmayr_Schmidt_Sanna_2016, title={LiTaO3 phonon dispersion and ferroelectric transition calculated from first principles}, volume={253}, DOI={<a href=\"https://doi.org/10.1002/pssb.201552576\">10.1002/pssb.201552576</a>}, number={4}, journal={Physica Status Solidi B}, publisher={Wiley-VCH}, author={Friedrich, Michael and Schindlmayr, Arno and Schmidt, Wolf Gero and Sanna, Simone}, year={2016}, pages={683–689} }","mla":"Friedrich, Michael, et al. “LiTaO3 Phonon Dispersion and Ferroelectric Transition Calculated from First Principles.” <i>Physica Status Solidi B</i>, vol. 253, no. 4, Wiley-VCH, 2016, pp. 683–89, doi:<a href=\"https://doi.org/10.1002/pssb.201552576\">10.1002/pssb.201552576</a>.","chicago":"Friedrich, Michael, Arno Schindlmayr, Wolf Gero Schmidt, and Simone Sanna. “LiTaO3 Phonon Dispersion and Ferroelectric Transition Calculated from First Principles.” <i>Physica Status Solidi B</i> 253, no. 4 (2016): 683–89. <a href=\"https://doi.org/10.1002/pssb.201552576\">https://doi.org/10.1002/pssb.201552576</a>.","short":"M. Friedrich, A. Schindlmayr, W.G. Schmidt, S. Sanna, Physica Status Solidi B 253 (2016) 683–689.","apa":"Friedrich, M., Schindlmayr, A., Schmidt, W. G., &#38; Sanna, S. (2016). LiTaO3 phonon dispersion and ferroelectric transition calculated from first principles. <i>Physica Status Solidi B</i>, <i>253</i>(4), 683–689. <a href=\"https://doi.org/10.1002/pssb.201552576\">https://doi.org/10.1002/pssb.201552576</a>","ieee":"M. Friedrich, A. Schindlmayr, W. G. Schmidt, and S. Sanna, “LiTaO3 phonon dispersion and ferroelectric transition calculated from first principles,” <i>Physica Status Solidi B</i>, vol. 253, no. 4, pp. 683–689, 2016, doi: <a href=\"https://doi.org/10.1002/pssb.201552576\">10.1002/pssb.201552576</a>."},"isi":"1","file_date_updated":"2020-08-30T14:41:39Z","doi":"10.1002/pssb.201552576","language":[{"iso":"eng"}],"article_type":"original","intvolume":"       253","publication_status":"published","date_updated":"2025-12-05T09:58:55Z","author":[{"full_name":"Friedrich, Michael","first_name":"Michael","last_name":"Friedrich"},{"orcid":"0000-0002-4855-071X","first_name":"Arno","last_name":"Schindlmayr","full_name":"Schindlmayr, Arno","id":"458"},{"id":"468","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero"},{"full_name":"Sanna, Simone","first_name":"Simone","last_name":"Sanna"}],"publication_identifier":{"issn":["0370-1972"],"eissn":["1521-3951"]},"title":"LiTaO3 phonon dispersion and ferroelectric transition calculated from first principles","year":"2016","department":[{"_id":"295"},{"_id":"296"},{"_id":"230"},{"_id":"429"},{"_id":"15"},{"_id":"35"},{"_id":"27"}],"type":"journal_article","date_created":"2019-05-29T07:52:52Z","file":[{"relation":"main_file","date_updated":"2020-08-30T14:41:39Z","file_name":"pssb.201552576.pdf","access_level":"closed","file_size":402594,"title":"LiTaO3 phonon dispersion and ferroelectric transition calculated from first principles","file_id":"18577","content_type":"application/pdf","creator":"schindlm","description":"© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim","date_created":"2020-08-28T14:22:11Z"}],"abstract":[{"lang":"eng","text":"The phonon dispersions of the ferro‐ and paraelectric phase of LiTaO3 are calculated within density‐functional perturbation theory. The longitudinal optical phonon modes are theoretically derived and compared with available experimental data. Our results confirm the recent phonon assignment proposed by Margueron et al. [J. Appl. Phys. 111, 104105 (2012)] on the basis of spectroscopical studies. A comparison with the phonon band structure of the related material LiNbO3 shows minor differences that can be traced to the atomic‐mass difference between Ta and Nb. The presence of phonons with imaginary frequencies for the paraelectric phase suggests that it does not correspond to a minimum energy structure, and is compatible with an order‐disorder type phase transition."}],"issue":"4","publication":"Physica Status Solidi B"},{"citation":{"apa":"Tebi, S., Aldahhak, H., Serrano, G., Schöfberger, W., Rauls, E., Schmidt, W. G., Koch, R., &#38; Müllegger, S. (2016). Manipulation resolves non-trivial structure of corrole monolayer on Ag(111). <i>Nanotechnology</i>, <i>27</i>, Article 025704. <a href=\"https://doi.org/10.1088/0957-4484/27/2/025704\">https://doi.org/10.1088/0957-4484/27/2/025704</a>","ieee":"S. Tebi <i>et al.</i>, “Manipulation resolves non-trivial structure of corrole monolayer on Ag(111),” <i>Nanotechnology</i>, vol. 27, Art. no. 025704, 2016, doi: <a href=\"https://doi.org/10.1088/0957-4484/27/2/025704\">10.1088/0957-4484/27/2/025704</a>.","chicago":"Tebi, Stefano, Hazem Aldahhak, Giulia Serrano, Wolfgang Schöfberger, Eva Rauls, Wolf Gero Schmidt, Reinhold Koch, and Stefan Müllegger. “Manipulation Resolves Non-Trivial Structure of Corrole Monolayer on Ag(111).” <i>Nanotechnology</i> 27 (2016). <a href=\"https://doi.org/10.1088/0957-4484/27/2/025704\">https://doi.org/10.1088/0957-4484/27/2/025704</a>.","short":"S. Tebi, H. Aldahhak, G. Serrano, W. Schöfberger, E. Rauls, W.G. Schmidt, R. Koch, S. Müllegger, Nanotechnology 27 (2016).","mla":"Tebi, Stefano, et al. “Manipulation Resolves Non-Trivial Structure of Corrole Monolayer on Ag(111).” <i>Nanotechnology</i>, vol. 27, 025704, 2016, doi:<a href=\"https://doi.org/10.1088/0957-4484/27/2/025704\">10.1088/0957-4484/27/2/025704</a>.","ama":"Tebi S, Aldahhak H, Serrano G, et al. Manipulation resolves non-trivial structure of corrole monolayer on Ag(111). <i>Nanotechnology</i>. 2016;27. doi:<a href=\"https://doi.org/10.1088/0957-4484/27/2/025704\">10.1088/0957-4484/27/2/025704</a>","bibtex":"@article{Tebi_Aldahhak_Serrano_Schöfberger_Rauls_Schmidt_Koch_Müllegger_2016, title={Manipulation resolves non-trivial structure of corrole monolayer on Ag(111)}, volume={27}, DOI={<a href=\"https://doi.org/10.1088/0957-4484/27/2/025704\">10.1088/0957-4484/27/2/025704</a>}, number={025704}, journal={Nanotechnology}, author={Tebi, Stefano and Aldahhak, Hazem and Serrano, Giulia and Schöfberger, Wolfgang and Rauls, Eva and Schmidt, Wolf Gero and Koch, Reinhold and Müllegger, Stefan}, year={2016} }"},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"13492","funded_apc":"1","user_id":"16199","volume":27,"status":"public","date_created":"2019-09-30T12:29:16Z","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"publication":"Nanotechnology","article_number":"025704","language":[{"iso":"eng"}],"doi":"10.1088/0957-4484/27/2/025704","year":"2016","title":"Manipulation resolves non-trivial structure of corrole monolayer on Ag(111)","publication_identifier":{"issn":["0957-4484","1361-6528"]},"author":[{"last_name":"Tebi","first_name":"Stefano","full_name":"Tebi, Stefano"},{"first_name":"Hazem","last_name":"Aldahhak","full_name":"Aldahhak, Hazem"},{"last_name":"Serrano","first_name":"Giulia","full_name":"Serrano, Giulia"},{"last_name":"Schöfberger","first_name":"Wolfgang","full_name":"Schöfberger, Wolfgang"},{"first_name":"Eva","last_name":"Rauls","full_name":"Rauls, Eva"},{"id":"468","last_name":"Schmidt","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero"},{"full_name":"Koch, Reinhold","last_name":"Koch","first_name":"Reinhold"},{"first_name":"Stefan","last_name":"Müllegger","full_name":"Müllegger, Stefan"}],"date_updated":"2025-12-05T10:20:57Z","publication_status":"published","intvolume":"        27"},{"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"}],"type":"journal_article","date_created":"2019-09-30T12:27:10Z","citation":{"mla":"Schöfberger, Wolfgang, et al. “A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions in Water.” <i>Angewandte Chemie International Edition</i>, 2016, pp. 2350–55, doi:<a href=\"https://doi.org/10.1002/anie.201508404\">10.1002/anie.201508404</a>.","ama":"Schöfberger W, Faschinger F, Chattopadhyay S, et al. A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions in Water. <i>Angewandte Chemie International Edition</i>. Published online 2016:2350-2355. doi:<a href=\"https://doi.org/10.1002/anie.201508404\">10.1002/anie.201508404</a>","bibtex":"@article{Schöfberger_Faschinger_Chattopadhyay_Bhakta_Mondal_Elemans_Müllegger_Tebi_Koch_Klappenberger_et al._2016, title={A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions in Water}, DOI={<a href=\"https://doi.org/10.1002/anie.201508404\">10.1002/anie.201508404</a>}, journal={Angewandte Chemie International Edition}, author={Schöfberger, Wolfgang and Faschinger, Felix and Chattopadhyay, Samir and Bhakta, Snehadri and Mondal, Biswajit and Elemans, Johannes A. A. W. and Müllegger, Stefan and Tebi, Stefano and Koch, Reinhold and Klappenberger, Florian and et al.}, year={2016}, pages={2350–2355} }","apa":"Schöfberger, W., Faschinger, F., Chattopadhyay, S., Bhakta, S., Mondal, B., Elemans, J. A. A. W., Müllegger, S., Tebi, S., Koch, R., Klappenberger, F., Paszkiewicz, M., Barth, J. V., Rauls, E., Aldahhak, H., Schmidt, W. G., &#38; Dey, A. (2016). A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions in Water. <i>Angewandte Chemie International Edition</i>, 2350–2355. <a href=\"https://doi.org/10.1002/anie.201508404\">https://doi.org/10.1002/anie.201508404</a>","ieee":"W. Schöfberger <i>et al.</i>, “A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions in Water,” <i>Angewandte Chemie International Edition</i>, pp. 2350–2355, 2016, doi: <a href=\"https://doi.org/10.1002/anie.201508404\">10.1002/anie.201508404</a>.","chicago":"Schöfberger, Wolfgang, Felix Faschinger, Samir Chattopadhyay, Snehadri Bhakta, Biswajit Mondal, Johannes A. A. W. Elemans, Stefan Müllegger, et al. “A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions in Water.” <i>Angewandte Chemie International Edition</i>, 2016, 2350–55. <a href=\"https://doi.org/10.1002/anie.201508404\">https://doi.org/10.1002/anie.201508404</a>.","short":"W. Schöfberger, F. Faschinger, S. Chattopadhyay, S. Bhakta, B. Mondal, J.A.A.W. Elemans, S. Müllegger, S. Tebi, R. Koch, F. Klappenberger, M. Paszkiewicz, J.V. Barth, E. Rauls, H. Aldahhak, W.G. Schmidt, A. Dey, Angewandte Chemie International Edition (2016) 2350–2355."},"publication":"Angewandte Chemie International Edition","doi":"10.1002/anie.201508404","user_id":"16199","language":[{"iso":"eng"}],"_id":"13491","page":"2350-2355","date_updated":"2025-12-05T10:21:25Z","publication_status":"published","author":[{"first_name":"Wolfgang","last_name":"Schöfberger","full_name":"Schöfberger, Wolfgang"},{"last_name":"Faschinger","first_name":"Felix","full_name":"Faschinger, Felix"},{"first_name":"Samir","last_name":"Chattopadhyay","full_name":"Chattopadhyay, Samir"},{"full_name":"Bhakta, Snehadri","last_name":"Bhakta","first_name":"Snehadri"},{"last_name":"Mondal","first_name":"Biswajit","full_name":"Mondal, Biswajit"},{"full_name":"Elemans, Johannes A. A. W.","first_name":"Johannes A. A. W.","last_name":"Elemans"},{"full_name":"Müllegger, Stefan","last_name":"Müllegger","first_name":"Stefan"},{"full_name":"Tebi, Stefano","first_name":"Stefano","last_name":"Tebi"},{"full_name":"Koch, Reinhold","first_name":"Reinhold","last_name":"Koch"},{"last_name":"Klappenberger","first_name":"Florian","full_name":"Klappenberger, Florian"},{"full_name":"Paszkiewicz, Mateusz","first_name":"Mateusz","last_name":"Paszkiewicz"},{"first_name":"Johannes V.","last_name":"Barth","full_name":"Barth, Johannes V."},{"last_name":"Rauls","first_name":"Eva","full_name":"Rauls, Eva"},{"full_name":"Aldahhak, Hazem","last_name":"Aldahhak","first_name":"Hazem"},{"full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","id":"468"},{"full_name":"Dey, Abhishek","first_name":"Abhishek","last_name":"Dey"}],"publication_identifier":{"issn":["1433-7851"]},"title":"A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions in Water","status":"public","year":"2016"}]
