Simple zinc organyls (R2Zn) efficiently catalyze the copolymerization of CO2 and cyclohexene oxide. The effect of various reaction parameters has been studied. The reaction proceeds under halogen-free conditions and no co-catalyst is required.
"}],"status":"public","publication":"RSC Advances","type":"journal_article"},{"doi":"10.1021/acscatal.7b03367","date_updated":"2025-11-10T09:05:26Z","author":[{"first_name":"Lars","full_name":"Longwitz, Lars","last_name":"Longwitz"},{"first_name":"Johannes","full_name":"Steinbauer, Johannes","last_name":"Steinbauer"},{"first_name":"Anke","full_name":"Spannenberg, Anke","last_name":"Spannenberg"},{"first_name":"Thomas","orcid":"0000-0001-9025-3244","last_name":"Werner","full_name":"Werner, Thomas","id":"89271"}],"volume":8,"citation":{"apa":"Longwitz, L., Steinbauer, J., Spannenberg, A., & Werner, T. (2018). Calcium-Based Catalytic System for the Synthesis of Bio-Derived Cyclic Carbonates under Mild Conditions. ACS Catalysis, 8(1), 665–672. https://doi.org/10.1021/acscatal.7b03367","short":"L. Longwitz, J. Steinbauer, A. Spannenberg, T. Werner, ACS Catalysis 8 (2018) 665–672.","mla":"Longwitz, Lars, et al. “Calcium-Based Catalytic System for the Synthesis of Bio-Derived Cyclic Carbonates under Mild Conditions.” ACS Catalysis, vol. 8, no. 1, American Chemical Society (ACS), 2018, pp. 665–72, doi:10.1021/acscatal.7b03367.","bibtex":"@article{Longwitz_Steinbauer_Spannenberg_Werner_2018, title={Calcium-Based Catalytic System for the Synthesis of Bio-Derived Cyclic Carbonates under Mild Conditions}, volume={8}, DOI={10.1021/acscatal.7b03367}, number={1}, journal={ACS Catalysis}, publisher={American Chemical Society (ACS)}, author={Longwitz, Lars and Steinbauer, Johannes and Spannenberg, Anke and Werner, Thomas}, year={2018}, pages={665–672} }","chicago":"Longwitz, Lars, Johannes Steinbauer, Anke Spannenberg, and Thomas Werner. “Calcium-Based Catalytic System for the Synthesis of Bio-Derived Cyclic Carbonates under Mild Conditions.” ACS Catalysis 8, no. 1 (2018): 665–72. https://doi.org/10.1021/acscatal.7b03367.","ieee":"L. Longwitz, J. Steinbauer, A. Spannenberg, and T. Werner, “Calcium-Based Catalytic System for the Synthesis of Bio-Derived Cyclic Carbonates under Mild Conditions,” ACS Catalysis, vol. 8, no. 1, pp. 665–672, 2018, doi: 10.1021/acscatal.7b03367.","ama":"Longwitz L, Steinbauer J, Spannenberg A, Werner T. Calcium-Based Catalytic System for the Synthesis of Bio-Derived Cyclic Carbonates under Mild Conditions. ACS Catalysis. 2018;8(1):665-672. doi:10.1021/acscatal.7b03367"},"page":"665-672","intvolume":" 8","publication_status":"published","publication_identifier":{"issn":["2155-5435","2155-5435"]},"_id":"62105","user_id":"89271","department":[{"_id":"35"},{"_id":"2"}],"status":"public","type":"journal_article","title":"Calcium-Based Catalytic System for the Synthesis of Bio-Derived Cyclic Carbonates under Mild Conditions","publisher":"American Chemical Society (ACS)","date_created":"2025-11-05T15:47:56Z","year":"2018","issue":"1","keyword":["T1","T3","T4","CSSD"],"language":[{"iso":"eng"}],"publication":"ACS Catalysis"},{"publication_status":"published","publication_identifier":{"issn":["2050-7488","2050-7496"]},"citation":{"chicago":"Balach, Juan, Julia Linnemann, Tony Jaumann, and Lars Giebeler. “Metal-Based Nanostructured Materials for Advanced Lithium–Sulfur Batteries.” Journal of Materials Chemistry A 6, no. 46 (2018): 23127–68. https://doi.org/10.1039/c8ta07220e.","ieee":"J. Balach, J. Linnemann, T. Jaumann, and L. Giebeler, “Metal-based nanostructured materials for advanced lithium–sulfur batteries,” Journal of Materials Chemistry A, vol. 6, no. 46, pp. 23127–23168, 2018, doi: 10.1039/c8ta07220e.","ama":"Balach J, Linnemann J, Jaumann T, Giebeler L. Metal-based nanostructured materials for advanced lithium–sulfur batteries. Journal of Materials Chemistry A. 2018;6(46):23127-23168. doi:10.1039/c8ta07220e","mla":"Balach, Juan, et al. “Metal-Based Nanostructured Materials for Advanced Lithium–Sulfur Batteries.” Journal of Materials Chemistry A, vol. 6, no. 46, Royal Society of Chemistry (RSC), 2018, pp. 23127–68, doi:10.1039/c8ta07220e.","short":"J. Balach, J. Linnemann, T. Jaumann, L. Giebeler, Journal of Materials Chemistry A 6 (2018) 23127–23168.","bibtex":"@article{Balach_Linnemann_Jaumann_Giebeler_2018, title={Metal-based nanostructured materials for advanced lithium–sulfur batteries}, volume={6}, DOI={10.1039/c8ta07220e}, number={46}, journal={Journal of Materials Chemistry A}, publisher={Royal Society of Chemistry (RSC)}, author={Balach, Juan and Linnemann, Julia and Jaumann, Tony and Giebeler, Lars}, year={2018}, pages={23127–23168} }","apa":"Balach, J., Linnemann, J., Jaumann, T., & Giebeler, L. (2018). Metal-based nanostructured materials for advanced lithium–sulfur batteries. Journal of Materials Chemistry A, 6(46), 23127–23168. https://doi.org/10.1039/c8ta07220e"},"intvolume":" 6","page":"23127-23168","author":[{"first_name":"Juan","full_name":"Balach, Juan","last_name":"Balach"},{"last_name":"Linnemann","orcid":"0000-0001-6883-5424","full_name":"Linnemann, Julia","id":"116779","first_name":"Julia"},{"full_name":"Jaumann, Tony","last_name":"Jaumann","first_name":"Tony"},{"last_name":"Giebeler","full_name":"Giebeler, Lars","first_name":"Lars"}],"volume":6,"date_updated":"2025-12-03T16:33:10Z","oa":"1","main_file_link":[{"url":"https://pubs.rsc.org/en/content/articlehtml/2018/ta/c8ta07220e","open_access":"1"}],"doi":"10.1039/c8ta07220e","type":"journal_article","status":"public","user_id":"116779","department":[{"_id":"985"}],"_id":"62802","extern":"1","article_type":"review","issue":"46","quality_controlled":"1","year":"2018","date_created":"2025-12-03T15:28:04Z","publisher":"Royal Society of Chemistry (RSC)","title":"Metal-based nanostructured materials for advanced lithium–sulfur batteries","publication":"Journal of Materials Chemistry A","abstract":[{"lang":"eng","text":"Since the resurgence of interest in lithium–sulfur (Li–S) batteries at the end of the 2000s, research in the field has grown rapidly. Li–S batteries hold great promise as the upcoming post-lithium-ion batteries owing to their notably high theoretical specific energy density of 2600 W h kg−1, nearly five-fold larger than that of current lithium-ion batteries. However, one of their major technical problems is found in the shuttling of soluble polysulfides between the electrodes, resulting in rapid capacity fading and poor cycling stability. This review spotlights the foremost findings and the recent progress in enhancing the electrochemical performance of Li–S batteries by using nanoscaled metal compounds and metals. Based on an overview of reported functional metal-based materials and their specific employment in certain parts of Li–S batteries, the underlying mechanisms of enhanced adsorption and improved reaction kinetics are critically discussed involving both experimental and computational research findings. Thus, material design principles and possible interdisciplinary research approaches providing the chance to jointly advance with related fields such as electrocatalysis are identified. Particularly, we elucidate additives, sulfur hosts, current collectors and functional interlayers/hybrid separators containing metal oxides, hydroxides and sulfides as well as metal–organic frameworks, bare metal and further metal nitrides, metal carbides and MXenes. Throughout this review article, we emphasize the close relationship between the intrinsic properties of metal-based nanostructured materials, the (electro)chemical interaction with lithium (poly)sulfides and the subsequent effect on the battery performance. Concluding the review, prospects for the future development of practical Li–S batteries with metal-based nanomaterials are discussed."}],"language":[{"iso":"eng"}],"keyword":["lithium-sulfur battery"]},{"publisher":"Springer Science and Business Media LLC","date_created":"2025-12-03T15:48:43Z","title":"Electrodeposited metal-organic framework films as self-assembled hierarchically superstructured supports for stable omniphobic surface coatings","quality_controlled":"1","issue":"1","year":"2018","keyword":["electrodeposition","metal-organic framework","MOF","drop-wise condensation","omniphobic coatings"],"language":[{"iso":"eng"}],"publication":"Scientific Reports","abstract":[{"lang":"eng","text":"Superhierarchically rough films are rapidly synthesised on metal substrates via electrochemically triggered self-assembly of meso/macroporous-structured metal-organic framework (MOF) crystals. These coatings are applied to immobilise a functional oil with low surface energy to provide stable coatings repellent to a wide range of hydrophobic as well as hydrophilic fluids. Such omniphobic surfaces are highly interesting for several applications such as anti-fouling, anti-icing, and dropwise condensation, and become easily scalable with the presented bottom-up fabrication approach. As investigated by environmental scanning electron microscopy (ESEM), the presented perfluorinated oil-infused Cu-BTC coating constitutes of a flat liquid-covered surface with protruding edges of octahedral superstructured MOF crystals. Water and non-polar diiodomethane droplets form considerably high contact angles and even low-surface-tension fluids, e.g. acetone, form droplets on the infused coating. The repellent properties towards the test fluids do not change upon extended water spraying in contrast to oil-infused porous copper oxide or native copper surfaces. It is discussed in detail, how the presented electrodeposited MOF films grow and provide a proficient surface morphology to stabilise the functional oil film due to hemiwicking."}],"oa":"1","date_updated":"2025-12-03T16:34:02Z","volume":8,"author":[{"first_name":"Jakob","last_name":"Sablowski","full_name":"Sablowski, Jakob"},{"full_name":"Linnemann, Julia","id":"116779","orcid":"0000-0001-6883-5424","last_name":"Linnemann","first_name":"Julia"},{"first_name":"Simone","last_name":"Hempel","full_name":"Hempel, Simone"},{"first_name":"Volker","last_name":"Hoffmann","full_name":"Hoffmann, Volker"},{"first_name":"Simon","full_name":"Unz, Simon","last_name":"Unz"},{"full_name":"Beckmann, Michael","last_name":"Beckmann","first_name":"Michael"},{"first_name":"Lars","full_name":"Giebeler, Lars","last_name":"Giebeler"}],"doi":"10.1038/s41598-018-33542-4","main_file_link":[{"open_access":"1"}],"publication_identifier":{"issn":["2045-2322"]},"publication_status":"published","intvolume":" 8","citation":{"apa":"Sablowski, J., Linnemann, J., Hempel, S., Hoffmann, V., Unz, S., Beckmann, M., & Giebeler, L. (2018). Electrodeposited metal-organic framework films as self-assembled hierarchically superstructured supports for stable omniphobic surface coatings. Scientific Reports, 8(1), Article 15400. https://doi.org/10.1038/s41598-018-33542-4","mla":"Sablowski, Jakob, et al. “Electrodeposited Metal-Organic Framework Films as Self-Assembled Hierarchically Superstructured Supports for Stable Omniphobic Surface Coatings.” Scientific Reports, vol. 8, no. 1, 15400, Springer Science and Business Media LLC, 2018, doi:10.1038/s41598-018-33542-4.","short":"J. Sablowski, J. Linnemann, S. Hempel, V. Hoffmann, S. Unz, M. Beckmann, L. Giebeler, Scientific Reports 8 (2018).","bibtex":"@article{Sablowski_Linnemann_Hempel_Hoffmann_Unz_Beckmann_Giebeler_2018, title={Electrodeposited metal-organic framework films as self-assembled hierarchically superstructured supports for stable omniphobic surface coatings}, volume={8}, DOI={10.1038/s41598-018-33542-4}, number={115400}, journal={Scientific Reports}, publisher={Springer Science and Business Media LLC}, author={Sablowski, Jakob and Linnemann, Julia and Hempel, Simone and Hoffmann, Volker and Unz, Simon and Beckmann, Michael and Giebeler, Lars}, year={2018} }","ieee":"J. Sablowski et al., “Electrodeposited metal-organic framework films as self-assembled hierarchically superstructured supports for stable omniphobic surface coatings,” Scientific Reports, vol. 8, no. 1, Art. no. 15400, 2018, doi: 10.1038/s41598-018-33542-4.","chicago":"Sablowski, Jakob, Julia Linnemann, Simone Hempel, Volker Hoffmann, Simon Unz, Michael Beckmann, and Lars Giebeler. “Electrodeposited Metal-Organic Framework Films as Self-Assembled Hierarchically Superstructured Supports for Stable Omniphobic Surface Coatings.” Scientific Reports 8, no. 1 (2018). https://doi.org/10.1038/s41598-018-33542-4.","ama":"Sablowski J, Linnemann J, Hempel S, et al. Electrodeposited metal-organic framework films as self-assembled hierarchically superstructured supports for stable omniphobic surface coatings. Scientific Reports. 2018;8(1). doi:10.1038/s41598-018-33542-4"},"_id":"62809","department":[{"_id":"985"}],"user_id":"116779","article_type":"original","article_number":"15400","extern":"1","type":"journal_article","status":"public"},{"status":"public","type":"journal_article","publication":"International Journal of Science Education","language":[{"iso":"eng"}],"user_id":"54823","department":[{"_id":"386"}],"_id":"23773","citation":{"ama":"Habig S, Blankenburg J, van Vorst H, Fechner S, Parchmann I, Sumfleth E. Context characteristics and their effects on students’ situational interest in chemistry. International Journal of Science Education. 2018;40(10):1154-1175. doi:10.1080/09500693.2018.1470349","chicago":"Habig, Sebastian, Janet Blankenburg, Helena van Vorst, Sabine Fechner, Ilka Parchmann, and Elke Sumfleth. “Context Characteristics and Their Effects on Students’ Situational Interest in Chemistry.” International Journal of Science Education 40, no. 10 (2018): 1154–75. https://doi.org/10.1080/09500693.2018.1470349.","ieee":"S. Habig, J. Blankenburg, H. van Vorst, S. Fechner, I. Parchmann, and E. Sumfleth, “Context characteristics and their effects on students’ situational interest in chemistry,” International Journal of Science Education, vol. 40, no. 10, pp. 1154–1175, 2018, doi: 10.1080/09500693.2018.1470349.","apa":"Habig, S., Blankenburg, J., van Vorst, H., Fechner, S., Parchmann, I., & Sumfleth, E. (2018). Context characteristics and their effects on students’ situational interest in chemistry. International Journal of Science Education, 40(10), 1154–1175. https://doi.org/10.1080/09500693.2018.1470349","bibtex":"@article{Habig_Blankenburg_van Vorst_Fechner_Parchmann_Sumfleth_2018, title={Context characteristics and their effects on students’ situational interest in chemistry}, volume={40}, DOI={10.1080/09500693.2018.1470349}, number={10}, journal={International Journal of Science Education}, author={Habig, Sebastian and Blankenburg, Janet and van Vorst, Helena and Fechner, Sabine and Parchmann, Ilka and Sumfleth, Elke}, year={2018}, pages={1154–1175} }","mla":"Habig, Sebastian, et al. “Context Characteristics and Their Effects on Students’ Situational Interest in Chemistry.” International Journal of Science Education, vol. 40, no. 10, 2018, pp. 1154–75, doi:10.1080/09500693.2018.1470349.","short":"S. Habig, J. Blankenburg, H. van Vorst, S. Fechner, I. Parchmann, E. Sumfleth, International Journal of Science Education 40 (2018) 1154–1175."},"intvolume":" 40","page":"1154-1175","year":"2018","issue":"10","publication_status":"published","quality_controlled":"1","publication_identifier":{"issn":["0950-0693","1464-5289"]},"doi":"10.1080/09500693.2018.1470349","title":"Context characteristics and their effects on students’ situational interest in chemistry","date_created":"2021-09-04T20:59:12Z","author":[{"first_name":"Sebastian","last_name":"Habig","full_name":"Habig, Sebastian"},{"first_name":"Janet","last_name":"Blankenburg","full_name":"Blankenburg, Janet"},{"first_name":"Helena","full_name":"van Vorst, Helena","last_name":"van Vorst"},{"first_name":"Sabine","id":"54823","full_name":"Fechner, Sabine","orcid":"0000-0001-5645-5870","last_name":"Fechner"},{"first_name":"Ilka","full_name":"Parchmann, Ilka","last_name":"Parchmann"},{"first_name":"Elke","full_name":"Sumfleth, Elke","last_name":"Sumfleth"}],"volume":40,"date_updated":"2025-12-03T18:14:01Z"},{"issue":"11","publication_status":"published","publication_identifier":{"issn":["2469-9950","2469-9969"]},"citation":{"ama":"Biktagirov T, Schmidt WG, Gerstmann U. Calculation of spin-spin zero-field splitting within periodic boundary conditions: Towards all-electron accuracy. Physical Review B. 2018;97(11). doi:10.1103/physrevb.97.115135","ieee":"T. Biktagirov, W. G. Schmidt, and U. Gerstmann, “Calculation of spin-spin zero-field splitting within periodic boundary conditions: Towards all-electron accuracy,” Physical Review B, vol. 97, no. 11, 2018, doi: 10.1103/physrevb.97.115135.","chicago":"Biktagirov, Timur, Wolf Gero Schmidt, and Uwe Gerstmann. “Calculation of Spin-Spin Zero-Field Splitting within Periodic Boundary Conditions: Towards All-Electron Accuracy.” Physical Review B 97, no. 11 (2018). https://doi.org/10.1103/physrevb.97.115135.","mla":"Biktagirov, Timur, et al. “Calculation of Spin-Spin Zero-Field Splitting within Periodic Boundary Conditions: Towards All-Electron Accuracy.” Physical Review B, vol. 97, no. 11, 2018, doi:10.1103/physrevb.97.115135.","short":"T. Biktagirov, W.G. Schmidt, U. Gerstmann, Physical Review B 97 (2018).","bibtex":"@article{Biktagirov_Schmidt_Gerstmann_2018, title={Calculation of spin-spin zero-field splitting within periodic boundary conditions: Towards all-electron accuracy}, volume={97}, DOI={10.1103/physrevb.97.115135}, number={11}, journal={Physical Review B}, author={Biktagirov, Timur and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2018} }","apa":"Biktagirov, T., Schmidt, W. G., & Gerstmann, U. (2018). Calculation of spin-spin zero-field splitting within periodic boundary conditions: Towards all-electron accuracy. Physical Review B, 97(11). https://doi.org/10.1103/physrevb.97.115135"},"intvolume":" 97","year":"2018","author":[{"first_name":"Timur","id":"65612","full_name":"Biktagirov, Timur","last_name":"Biktagirov"},{"id":"468","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","first_name":"Wolf Gero"},{"first_name":"Uwe","last_name":"Gerstmann","orcid":"0000-0002-4476-223X","full_name":"Gerstmann, Uwe","id":"171"}],"date_created":"2019-09-20T11:24:55Z","volume":97,"date_updated":"2025-12-05T10:03:47Z","doi":"10.1103/physrevb.97.115135","title":"Calculation of spin-spin zero-field splitting within periodic boundary conditions: Towards all-electron accuracy","type":"journal_article","publication":"Physical Review B","status":"public","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"},{"_id":"790"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"13409","language":[{"iso":"eng"}],"funded_apc":"1"},{"doi":"10.1103/PhysRevMaterials.2.019902","author":[{"full_name":"Friedrich, Michael","last_name":"Friedrich","first_name":"Michael"},{"id":"468","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","first_name":"Wolf Gero"},{"first_name":"Arno","orcid":"0000-0002-4855-071X","last_name":"Schindlmayr","full_name":"Schindlmayr, Arno","id":"458"},{"first_name":"Simone","full_name":"Sanna, Simone","last_name":"Sanna"}],"volume":2,"date_updated":"2025-12-05T10:07:07Z","oa":"1","citation":{"apa":"Friedrich, M., Schmidt, W. G., Schindlmayr, A., & Sanna, S. (2018). Erratum: Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory [Phys. Rev. Materials 1, 034401 (2017)]. Physical Review Materials, 2(1). https://doi.org/10.1103/PhysRevMaterials.2.019902","short":"M. Friedrich, W.G. Schmidt, A. Schindlmayr, S. Sanna, Physical Review Materials 2 (2018).","mla":"Friedrich, Michael, et al. “Erratum: Optical Properties of Titanium-Doped Lithium Niobate from Time-Dependent Density-Functional Theory [Phys. Rev. Materials 1, 034401 (2017)].” Physical Review Materials, vol. 2, no. 1, 019902, American Physical Society, 2018, doi:10.1103/PhysRevMaterials.2.019902.","bibtex":"@article{Friedrich_Schmidt_Schindlmayr_Sanna_2018, title={Erratum: Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory [Phys. Rev. Materials 1, 034401 (2017)]}, volume={2}, DOI={10.1103/PhysRevMaterials.2.019902}, number={1019902}, journal={Physical Review Materials}, publisher={American Physical Society}, author={Friedrich, Michael and Schmidt, Wolf Gero and Schindlmayr, Arno and Sanna, Simone}, year={2018} }","ama":"Friedrich M, Schmidt WG, Schindlmayr A, Sanna S. Erratum: Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory [Phys. Rev. Materials 1, 034401 (2017)]. Physical Review Materials. 2018;2(1). doi:10.1103/PhysRevMaterials.2.019902","ieee":"M. Friedrich, W. G. Schmidt, A. Schindlmayr, and S. Sanna, “Erratum: Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory [Phys. Rev. Materials 1, 034401 (2017)],” Physical Review Materials, vol. 2, no. 1, 2018.","chicago":"Friedrich, Michael, Wolf Gero Schmidt, Arno Schindlmayr, and Simone Sanna. “Erratum: Optical Properties of Titanium-Doped Lithium Niobate from Time-Dependent Density-Functional Theory [Phys. Rev. Materials 1, 034401 (2017)].” Physical Review Materials 2, no. 1 (2018). https://doi.org/10.1103/PhysRevMaterials.2.019902."},"intvolume":" 2","related_material":{"record":[{"id":"10021","relation":"other","status":"public"}]},"publication_status":"published","has_accepted_license":"1","publication_identifier":{"eissn":["2475-9953"]},"file_date_updated":"2020-08-30T14:34:54Z","article_number":"019902","isi":"1","user_id":"458","department":[{"_id":"295"},{"_id":"296"},{"_id":"230"},{"_id":"429"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"_id":"53","name":"TRR 142"},{"_id":"55","name":"TRR 142 - Project Area B"},{"name":"TRR 142 - Subproject B3","_id":"68"},{"_id":"69","name":"TRR 142 - Subproject B4"}],"_id":"13410","status":"public","type":"journal_article","title":"Erratum: Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory [Phys. Rev. Materials 1, 034401 (2017)]","date_created":"2019-09-20T11:28:23Z","publisher":"American Physical Society","year":"2018","issue":"1","quality_controlled":"1","language":[{"iso":"eng"}],"ddc":["530"],"external_id":{"isi":["000419778500006"]},"file":[{"description":"© 2018 American Physical Society","file_size":178961,"title":"Erratum: Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory [Phys. Rev. Materials 1, 034401 (2017)]","file_id":"18536","file_name":"PhysRevMaterials.2.019902.pdf","access_level":"open_access","date_updated":"2020-08-30T14:34:54Z","date_created":"2020-08-28T09:11:59Z","creator":"schindlm","relation":"main_file","content_type":"application/pdf"}],"publication":"Physical Review Materials"},{"language":[{"iso":"eng"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"13407","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"2"},{"_id":"306"},{"_id":"35"},{"_id":"230"},{"_id":"27"},{"_id":"305"}],"abstract":[{"lang":"eng","text":"A study of structural evolution upon photoinduced charge transfer in a dicopper complex with biologically relevant sulfur coordination.
"}],"status":"public","type":"journal_article","publication":"Physical Chemistry Chemical Physics","title":"Structural dynamics upon photoexcitation-induced charge transfer in a dicopper(i)–disulfide complex","doi":"10.1039/c7cp04880g","date_updated":"2025-12-05T10:06:33Z","date_created":"2019-09-20T11:14:14Z","author":[{"first_name":"Maria","full_name":"Naumova, Maria","last_name":"Naumova"},{"first_name":"Dmitry","last_name":"Khakhulin","full_name":"Khakhulin, Dmitry"},{"first_name":"Mateusz","full_name":"Rebarz, Mateusz","last_name":"Rebarz"},{"full_name":"Rohrmüller, Martin","last_name":"Rohrmüller","first_name":"Martin"},{"full_name":"Dicke, Benjamin","last_name":"Dicke","first_name":"Benjamin"},{"last_name":"Biednov","full_name":"Biednov, Mykola","first_name":"Mykola"},{"full_name":"Britz, Alexander","last_name":"Britz","first_name":"Alexander"},{"first_name":"Shirly","full_name":"Espinoza, Shirly","last_name":"Espinoza"},{"first_name":"Benjamin","full_name":"Grimm-Lebsanft, Benjamin","last_name":"Grimm-Lebsanft"},{"first_name":"Miroslav","last_name":"Kloz","full_name":"Kloz, Miroslav"},{"full_name":"Kretzschmar, Norman","last_name":"Kretzschmar","first_name":"Norman"},{"last_name":"Neuba","full_name":"Neuba, Adam","first_name":"Adam"},{"full_name":"Ortmeyer, Jochen","last_name":"Ortmeyer","first_name":"Jochen"},{"full_name":"Schoch, Roland","id":"48467","last_name":"Schoch","orcid":"0000-0003-2061-7289","first_name":"Roland"},{"full_name":"Andreasson, Jakob","last_name":"Andreasson","first_name":"Jakob"},{"first_name":"Matthias","last_name":"Bauer","orcid":"0000-0002-9294-6076","id":"47241","full_name":"Bauer, Matthias"},{"first_name":"Christian","last_name":"Bressler","full_name":"Bressler, Christian"},{"last_name":"Schmidt","orcid":"0000-0002-2717-5076","id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero"},{"last_name":"Henkel","full_name":"Henkel, Gerald","first_name":"Gerald"},{"last_name":"Rübhausen","full_name":"Rübhausen, Michael","first_name":"Michael"}],"year":"2018","citation":{"ama":"Naumova M, Khakhulin D, Rebarz M, et al. 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Schumacher, Physical Review B 97 (2018)."},"year":"2018","volume":97,"author":[{"last_name":"Breddermann","full_name":"Breddermann, Dominik","first_name":"Dominik"},{"full_name":"Praschan, Tom","last_name":"Praschan","first_name":"Tom"},{"full_name":"Heinze, Dirk Florian","id":"10904","last_name":"Heinze","first_name":"Dirk Florian"},{"full_name":"Binder, Rolf","last_name":"Binder","first_name":"Rolf"},{"first_name":"Stefan","full_name":"Schumacher, Stefan","id":"27271","orcid":"0000-0003-4042-4951","last_name":"Schumacher"}],"date_created":"2019-09-19T13:57:23Z","date_updated":"2025-12-05T14:34:12Z","doi":"10.1103/physrevb.97.125303","title":"Microscopic theory of cavity-enhanced single-photon emission from optical two-photon Raman processes"},{"year":"2018","citation":{"ama":"van Vorst H, Fechner S, Sumfleth E. Unterscheidung von Kontexten für den Chemieunterricht. 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Zeitschrift für Didaktik der Naturwissenschaften, 24(1), 167–181. https://doi.org/10.1007/s40573-018-0081-z"},"intvolume":" 24","page":"167-181","publication_status":"published","quality_controlled":"1","publication_identifier":{"issn":["0949-1147","2197-988X"]},"issue":"1","title":"Unterscheidung von Kontexten für den Chemieunterricht","doi":"10.1007/s40573-018-0081-z","date_updated":"2025-12-11T13:32:13Z","date_created":"2021-09-03T12:12:47Z","author":[{"full_name":"van Vorst, Helena","last_name":"van Vorst","first_name":"Helena"},{"id":"54823","full_name":"Fechner, Sabine","orcid":"0000-0001-5645-5870","last_name":"Fechner","first_name":"Sabine"},{"full_name":"Sumfleth, Elke","last_name":"Sumfleth","first_name":"Elke"}],"volume":24,"status":"public","type":"journal_article","publication":"Zeitschrift für Didaktik der Naturwissenschaften","language":[{"iso":"ger"}],"_id":"23749","user_id":"54823","department":[{"_id":"386"},{"_id":"33"}]},{"publication_identifier":{"issn":["2045-2322"]},"publication_status":"published","page":"3706","intvolume":" 8","citation":{"chicago":"Belobo, D. Belobo, and T. Meier. “Exotic Complexes in One-Dimensional Bose-Einstein Condensates with Spin-Orbit Coupling.” Scientific Reports 8 (2018): 3706. https://doi.org/10.1038/s41598-018-22008-2.","ieee":"D. B. Belobo and T. Meier, “Exotic complexes in one-dimensional Bose-Einstein condensates with spin-orbit coupling,” Scientific Reports, vol. 8, p. 3706, 2018, doi: 10.1038/s41598-018-22008-2.","ama":"Belobo DB, Meier T. Exotic complexes in one-dimensional Bose-Einstein condensates with spin-orbit coupling. Scientific Reports. 2018;8:3706. doi:10.1038/s41598-018-22008-2","short":"D.B. Belobo, T. Meier, Scientific Reports 8 (2018) 3706.","bibtex":"@article{Belobo_Meier_2018, title={Exotic complexes in one-dimensional Bose-Einstein condensates with spin-orbit coupling}, volume={8}, DOI={10.1038/s41598-018-22008-2}, journal={Scientific Reports}, author={Belobo, D. Belobo and Meier, T.}, year={2018}, pages={3706} }","mla":"Belobo, D. Belobo, and T. Meier. “Exotic Complexes in One-Dimensional Bose-Einstein Condensates with Spin-Orbit Coupling.” Scientific Reports, vol. 8, 2018, p. 3706, doi:10.1038/s41598-018-22008-2.","apa":"Belobo, D. B., & Meier, T. (2018). Exotic complexes in one-dimensional Bose-Einstein condensates with spin-orbit coupling. Scientific Reports, 8, 3706. https://doi.org/10.1038/s41598-018-22008-2"},"year":"2018","volume":8,"author":[{"last_name":"Belobo","full_name":"Belobo, D. Belobo","first_name":"D. Belobo"},{"first_name":"T.","full_name":"Meier, T.","last_name":"Meier"}],"date_created":"2019-10-18T07:57:16Z","date_updated":"2025-12-16T07:55:24Z","doi":"10.1038/s41598-018-22008-2","title":"Exotic complexes in one-dimensional Bose-Einstein condensates with spin-orbit coupling","publication":"Scientific Reports","type":"journal_article","status":"public","department":[{"_id":"15"},{"_id":"170"},{"_id":"293"},{"_id":"35"},{"_id":"230"}],"user_id":"16199","_id":"13902","funded_apc":"1","language":[{"iso":"eng"}]},{"external_id":{"isi":["000422773000001"]},"language":[{"iso":"eng"}],"ddc":["530"],"publication":"Advances in Mathematical Physics","file":[{"content_type":"application/pdf","creator":"schindlm","file_name":"3732892.pdf","file_size":294410,"relation":"main_file","date_created":"2020-08-28T09:18:25Z","date_updated":"2020-08-30T14:31:38Z","access_level":"open_access","file_id":"18537","title":"Exact formulation of the transverse dynamic spin susceptibility as an initial-value problem","description":"Creative Commons Attribution 4.0 International Public License (CC BY 4.0)"}],"abstract":[{"lang":"eng","text":"The transverse dynamic spin susceptibility is a correlation function that yields exact information about spin excitations in systems with a collinear magnetic ground state, including collective spin-wave modes. In an ab initio context, it may be calculated within many-body perturbation theory or time-dependent density-functional theory, but the quantitative accuracy is currently limited by the available functionals for exchange and correlation in dynamically evolving systems. To circumvent this limitation, the spin susceptibility is here alternatively formulated as the solution of an initial-value problem. In this way, the challenge of accurately describing exchange and correlation in many-electron systems is shifted to the stationary initial state, which is much better understood. The proposed scheme further requires the choice of an auxiliary basis set, which determines the speed of convergence but always allows systematic convergence in practical implementations."}],"date_created":"2020-08-27T19:18:34Z","publisher":"Hindawi","title":"Exact formulation of the transverse dynamic spin susceptibility as an initial-value problem","quality_controlled":"1","year":"2018","user_id":"16199","department":[{"_id":"296"},{"_id":"35"},{"_id":"15"},{"_id":"170"},{"_id":"230"}],"_id":"18466","file_date_updated":"2020-08-30T14:31:38Z","article_type":"original","article_number":"3732892","isi":"1","type":"journal_article","status":"public","author":[{"first_name":"Arno","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","id":"458","full_name":"Schindlmayr, Arno"}],"volume":2018,"oa":"1","date_updated":"2025-12-16T08:04:17Z","doi":"10.1155/2018/3732892","publication_status":"published","publication_identifier":{"issn":["1687-9120"],"eissn":["1687-9139"]},"has_accepted_license":"1","citation":{"apa":"Schindlmayr, A. (2018). Exact formulation of the transverse dynamic spin susceptibility as an initial-value problem. Advances in Mathematical Physics, 2018, Article 3732892. https://doi.org/10.1155/2018/3732892","short":"A. Schindlmayr, Advances in Mathematical Physics 2018 (2018).","mla":"Schindlmayr, Arno. “Exact Formulation of the Transverse Dynamic Spin Susceptibility as an Initial-Value Problem.” Advances in Mathematical Physics, vol. 2018, 3732892, Hindawi, 2018, doi:10.1155/2018/3732892.","bibtex":"@article{Schindlmayr_2018, title={Exact formulation of the transverse dynamic spin susceptibility as an initial-value problem}, volume={2018}, DOI={10.1155/2018/3732892}, number={3732892}, journal={Advances in Mathematical Physics}, publisher={Hindawi}, author={Schindlmayr, Arno}, year={2018} }","chicago":"Schindlmayr, Arno. “Exact Formulation of the Transverse Dynamic Spin Susceptibility as an Initial-Value Problem.” Advances in Mathematical Physics 2018 (2018). https://doi.org/10.1155/2018/3732892.","ieee":"A. Schindlmayr, “Exact formulation of the transverse dynamic spin susceptibility as an initial-value problem,” Advances in Mathematical Physics, vol. 2018, Art. no. 3732892, 2018, doi: 10.1155/2018/3732892.","ama":"Schindlmayr A. Exact formulation of the transverse dynamic spin susceptibility as an initial-value problem. Advances in Mathematical Physics. 2018;2018. doi:10.1155/2018/3732892"},"intvolume":" 2018"}]