[{"abstract":[{"lang":"eng","text":"Stimulated by the renewed interest and recent developments in semi-empirical quantum chemical (SQC) methods for noncovalent interactions, we examine the properties of liquid water at ambient conditions by means of molecular dynamics (MD) simulations, both with the conventional NDDO-type (neglect of diatomic differential overlap) methods, e.g. AM1 and PM6, and with DFTB-type (density-functional tight-binding) methods, e.g. DFTB2 and GFN-xTB. Besides the original parameter sets, some specifically reparametrized SQC methods (denoted as AM1-W, PM6-fm, and DFTB2-iBi) targeting various smaller water systems ranging from molecular clusters to bulk are considered as well. The quality of these different SQC methods for describing liquid water properties at ambient conditions are assessed by comparison to well-established experimental data and also to BLYP-D3 density functional theory-based ab initio MD simulations. Our analyses reveal that static and dynamics properties of bulk water are poorly described by all considered SQC methods with the original parameters, regardless of the underlying theoretical models, with most of the methods suffering from too weak hydrogen bonds and hence predicting a far too fluid water with highly distorted hydrogen bond kinetics. On the other hand, the reparametrized force-matchcd PM6-fm method is shown to be able to quantitatively reproduce the static and dynamic features of liquid water, and thus can be used as a computationally efficient alternative to electronic structure-based MD simulations for liquid water that requires extended length and time scales. DFTB2-iBi predicts a slightly overstructured water with reduced fluidity, whereas AM1-W gives an amorphous ice-like structure for water at ambient conditions."}],"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"bibtex":"@article{Wu_Elgabarty_Alizadeh_Henao Aristizabal_Zysk_Plessl_Ehlert_Hutter_Kühne_2025, title={Benchmarking semi-empirical quantum chemical methods on liquid water}, author={Wu, Xin and Elgabarty, Hossam and Alizadeh, Vahideh and Henao Aristizabal, Andres and Zysk, Frederik and Plessl, Christian and Ehlert, Sebastian and Hutter, Jürg and Kühne, Thomas D.}, year={2025} }","chicago":"Wu, Xin, Hossam Elgabarty, Vahideh Alizadeh, Andres Henao Aristizabal, Frederik Zysk, Christian Plessl, Sebastian Ehlert, Jürg Hutter, and Thomas D. Kühne. “Benchmarking Semi-Empirical Quantum Chemical Methods on Liquid Water,” 2025.","ama":"Wu X, Elgabarty H, Alizadeh V, et al. Benchmarking semi-empirical quantum chemical methods on liquid water. Published online 2025.","short":"X. Wu, H. Elgabarty, V. Alizadeh, A. Henao Aristizabal, F. Zysk, C. Plessl, S. Ehlert, J. Hutter, T.D. Kühne, (2025).","ieee":"X. Wu et al., “Benchmarking semi-empirical quantum chemical methods on liquid water.” 2025.","apa":"Wu, X., Elgabarty, H., Alizadeh, V., Henao Aristizabal, A., Zysk, F., Plessl, C., Ehlert, S., Hutter, J., & Kühne, T. D. (2025). Benchmarking semi-empirical quantum chemical methods on liquid water.","mla":"Wu, Xin, et al. Benchmarking Semi-Empirical Quantum Chemical Methods on Liquid Water. 2025."},"type":"preprint","department":[{"_id":"27"},{"_id":"2"}],"date_created":"2026-02-09T09:03:41Z","date_updated":"2026-02-09T09:17:07Z","status":"public","title":"Benchmarking semi-empirical quantum chemical methods on liquid water","year":"2025","author":[{"id":"77439","full_name":"Wu, Xin","first_name":"Xin","last_name":"Wu"},{"id":"60250","orcid":"0000-0002-4945-1481","last_name":"Elgabarty","first_name":"Hossam","full_name":"Elgabarty, Hossam"},{"first_name":"Vahideh","last_name":"Alizadeh","full_name":"Alizadeh, Vahideh"},{"full_name":"Henao Aristizabal, Andres","last_name":"Henao Aristizabal","first_name":"Andres","id":"67235"},{"id":"14757","first_name":"Frederik","last_name":"Zysk","full_name":"Zysk, Frederik"},{"id":"16153","first_name":"Christian","last_name":"Plessl","orcid":"0000-0001-5728-9982","full_name":"Plessl, Christian"},{"first_name":"Sebastian","last_name":"Ehlert","full_name":"Ehlert, Sebastian"},{"last_name":"Hutter","first_name":"Jürg","full_name":"Hutter, Jürg"},{"full_name":"Kühne, Thomas D.","first_name":"Thomas D.","last_name":"Kühne","id":"49079"}],"user_id":"77439","main_file_link":[{"url":"https://arxiv.org/abs/2503.11867"}],"_id":"64071","language":[{"iso":"eng"}]},{"date_created":"2026-02-07T15:48:58Z","type":"journal_article","publication":"Analytical Chemistry","citation":{"ieee":"K. Koschnik et al., “High-Sensitivity Gas-Phase Raman Spectroscopy for Time-Resolved In-Situ Analysis of Isotope Scrambling over Platinum Nanocatalysts,” Analytical Chemistry, p. in revision, 2025.","apa":"Koschnik, K., Ferris, A. M., Zhang, B., Lill, J., Stark, M., Weinmann, A., Limbach, H. H., Gutmann, T., Geyer, D., & Dreizler, A. (2025). High-Sensitivity Gas-Phase Raman Spectroscopy for Time-Resolved In-Situ Analysis of Isotope Scrambling over Platinum Nanocatalysts. Analytical Chemistry, in revision.","short":"K. Koschnik, A.M. Ferris, B. Zhang, J. Lill, M. Stark, A. Weinmann, H.H. Limbach, T. Gutmann, D. Geyer, A. Dreizler, Analytical Chemistry (2025) in revision.","chicago":"Koschnik, K., A. M. Ferris, B. Zhang, J. Lill, M. Stark, A. Weinmann, H. H. Limbach, Torsten Gutmann, D. Geyer, and A. Dreizler. “High-Sensitivity Gas-Phase Raman Spectroscopy for Time-Resolved In-Situ Analysis of Isotope Scrambling over Platinum Nanocatalysts.” Analytical Chemistry, 2025, in revision.","mla":"Koschnik, K., et al. “High-Sensitivity Gas-Phase Raman Spectroscopy for Time-Resolved In-Situ Analysis of Isotope Scrambling over Platinum Nanocatalysts.” Analytical Chemistry, 2025, p. in revision.","bibtex":"@article{Koschnik_Ferris_Zhang_Lill_Stark_Weinmann_Limbach_Gutmann_Geyer_Dreizler_2025, title={High-Sensitivity Gas-Phase Raman Spectroscopy for Time-Resolved In-Situ Analysis of Isotope Scrambling over Platinum Nanocatalysts}, journal={Analytical Chemistry}, author={Koschnik, K. and Ferris, A. M. and Zhang, B. and Lill, J. and Stark, M. and Weinmann, A. and Limbach, H. H. and Gutmann, Torsten and Geyer, D. and Dreizler, A.}, year={2025}, pages={in revision} }","ama":"Koschnik K, Ferris AM, Zhang B, et al. High-Sensitivity Gas-Phase Raman Spectroscopy for Time-Resolved In-Situ Analysis of Isotope Scrambling over Platinum Nanocatalysts. Analytical Chemistry. Published online 2025:in revision."},"extern":"1","page":"in revision","language":[{"iso":"eng"}],"_id":"63996","user_id":"100715","title":"High-Sensitivity Gas-Phase Raman Spectroscopy for Time-Resolved In-Situ Analysis of Isotope Scrambling over Platinum Nanocatalysts","status":"public","year":"2025","author":[{"first_name":"K.","last_name":"Koschnik","full_name":"Koschnik, K."},{"last_name":"Ferris","first_name":"A. M.","full_name":"Ferris, A. M."},{"full_name":"Zhang, B.","first_name":"B.","last_name":"Zhang"},{"full_name":"Lill, J.","last_name":"Lill","first_name":"J."},{"first_name":"M.","last_name":"Stark","full_name":"Stark, M."},{"full_name":"Weinmann, A.","first_name":"A.","last_name":"Weinmann"},{"last_name":"Limbach","first_name":"H. H.","full_name":"Limbach, H. H."},{"id":"118165","full_name":"Gutmann, Torsten","first_name":"Torsten","last_name":"Gutmann"},{"first_name":"D.","last_name":"Geyer","full_name":"Geyer, D."},{"full_name":"Dreizler, A.","last_name":"Dreizler","first_name":"A."}],"date_updated":"2026-02-17T16:16:03Z"},{"page":"262–272","publisher":"ACM","_id":"61918","language":[{"iso":"eng"}],"doi":"10.1145/3729878.3746615","user_id":"15504","status":"public","title":"Efficient Online Automated Algorithm Selection in the Face of Data-Drift in Optimisation Problem Instances","year":"2025","author":[{"id":"102977","full_name":"Rook, Jeroen","first_name":"Jeroen","last_name":"Rook"},{"first_name":"Quentin","last_name":"Renau","full_name":"Renau, Quentin"},{"full_name":"Trautmann, Heike","first_name":"Heike","last_name":"Trautmann","orcid":"0000-0002-9788-8282","id":"100740"},{"first_name":"Emma","last_name":"Hart","full_name":"Hart, Emma"}],"date_updated":"2026-02-25T14:31:18Z","date_created":"2025-10-22T07:26:45Z","type":"conference","department":[{"_id":"819"}],"publication":"Proceedings of the 18th ACM/SIGEVO Conference on Foundations of Genetic Algorithms, FOGA 2025, Leiden, The Netherlands, August 27-29, 2025","citation":{"mla":"Rook, Jeroen, et al. “Efficient Online Automated Algorithm Selection in the Face of Data-Drift in Optimisation Problem Instances.” Proceedings of the 18th ACM/SIGEVO Conference on Foundations of Genetic Algorithms, FOGA 2025, Leiden, The Netherlands, August 27-29, 2025, ACM, 2025, pp. 262–272, doi:10.1145/3729878.3746615.","bibtex":"@inproceedings{Rook_Renau_Trautmann_Hart_2025, title={Efficient Online Automated Algorithm Selection in the Face of Data-Drift in Optimisation Problem Instances}, DOI={10.1145/3729878.3746615}, booktitle={Proceedings of the 18th ACM/SIGEVO Conference on Foundations of Genetic Algorithms, FOGA 2025, Leiden, The Netherlands, August 27-29, 2025}, publisher={ACM}, author={Rook, Jeroen and Renau, Quentin and Trautmann, Heike and Hart, Emma}, year={2025}, pages={262–272} }","ama":"Rook J, Renau Q, Trautmann H, Hart E. Efficient Online Automated Algorithm Selection in the Face of Data-Drift in Optimisation Problem Instances. In: Proceedings of the 18th ACM/SIGEVO Conference on Foundations of Genetic Algorithms, FOGA 2025, Leiden, The Netherlands, August 27-29, 2025. ACM; 2025:262–272. doi:10.1145/3729878.3746615","ieee":"J. Rook, Q. Renau, H. Trautmann, and E. Hart, “Efficient Online Automated Algorithm Selection in the Face of Data-Drift in Optimisation Problem Instances,” in Proceedings of the 18th ACM/SIGEVO Conference on Foundations of Genetic Algorithms, FOGA 2025, Leiden, The Netherlands, August 27-29, 2025, 2025, pp. 262–272, doi: 10.1145/3729878.3746615.","apa":"Rook, J., Renau, Q., Trautmann, H., & Hart, E. (2025). Efficient Online Automated Algorithm Selection in the Face of Data-Drift in Optimisation Problem Instances. Proceedings of the 18th ACM/SIGEVO Conference on Foundations of Genetic Algorithms, FOGA 2025, Leiden, The Netherlands, August 27-29, 2025, 262–272. https://doi.org/10.1145/3729878.3746615","chicago":"Rook, Jeroen, Quentin Renau, Heike Trautmann, and Emma Hart. “Efficient Online Automated Algorithm Selection in the Face of Data-Drift in Optimisation Problem Instances.” In Proceedings of the 18th ACM/SIGEVO Conference on Foundations of Genetic Algorithms, FOGA 2025, Leiden, The Netherlands, August 27-29, 2025, 262–272. ACM, 2025. https://doi.org/10.1145/3729878.3746615.","short":"J. Rook, Q. Renau, H. Trautmann, E. Hart, in: Proceedings of the 18th ACM/SIGEVO Conference on Foundations of Genetic Algorithms, FOGA 2025, Leiden, The Netherlands, August 27-29, 2025, ACM, 2025, pp. 262–272."}},{"date_created":"2025-11-04T12:49:13Z","type":"journal_article","citation":{"short":"J. Gerritzen, B. Gröger, M. Zscheyge, A. Hornig, M. Gude, Materials &amp; Design 260 (2025).","chicago":"Gerritzen, Johannes, Benjamin Gröger, Matthias Zscheyge, Andreas Hornig, and Maik Gude. “3D Viscoelastic Plastic Model Coupled with a Continuum Damage Formulation for Fiber Reinforced Polymers.” Materials &amp; Design 260 (2025). https://doi.org/10.1016/j.matdes.2025.114969.","apa":"Gerritzen, J., Gröger, B., Zscheyge, M., Hornig, A., & Gude, M. (2025). 3D viscoelastic plastic model coupled with a continuum damage formulation for fiber reinforced polymers. Materials &amp; Design, 260, Article 114969. https://doi.org/10.1016/j.matdes.2025.114969","ieee":"J. Gerritzen, B. Gröger, M. Zscheyge, A. Hornig, and M. Gude, “3D viscoelastic plastic model coupled with a continuum damage formulation for fiber reinforced polymers,” Materials &amp; Design, vol. 260, Art. no. 114969, 2025, doi: 10.1016/j.matdes.2025.114969.","ama":"Gerritzen J, Gröger B, Zscheyge M, Hornig A, Gude M. 3D viscoelastic plastic model coupled with a continuum damage formulation for fiber reinforced polymers. Materials &amp; Design. 2025;260. doi:10.1016/j.matdes.2025.114969","bibtex":"@article{Gerritzen_Gröger_Zscheyge_Hornig_Gude_2025, title={3D viscoelastic plastic model coupled with a continuum damage formulation for fiber reinforced polymers}, volume={260}, DOI={10.1016/j.matdes.2025.114969}, number={114969}, journal={Materials &amp; Design}, publisher={Elsevier BV}, author={Gerritzen, Johannes and Gröger, Benjamin and Zscheyge, Matthias and Hornig, Andreas and Gude, Maik}, year={2025} }","mla":"Gerritzen, Johannes, et al. “3D Viscoelastic Plastic Model Coupled with a Continuum Damage Formulation for Fiber Reinforced Polymers.” Materials &amp; Design, vol. 260, 114969, Elsevier BV, 2025, doi:10.1016/j.matdes.2025.114969."},"publication":"Materials & Design","project":[{"_id":"130","name":"TRR 285: Methodenentwicklung zur mechanischen Fügbarkeit in wandlungsfähigen Prozessketten"},{"name":"TRR 285 - Subproject A03","_id":"137"},{"name":"TRR 285 - Project Area A","_id":"131"}],"_id":"62081","publisher":"Elsevier BV","language":[{"iso":"eng"}],"article_number":"114969","volume":260,"doi":"10.1016/j.matdes.2025.114969","user_id":"105344","author":[{"id":"105344","full_name":"Gerritzen, Johannes","first_name":"Johannes","orcid":"0000-0002-0169-8602","last_name":"Gerritzen"},{"full_name":"Gröger, Benjamin","first_name":"Benjamin","last_name":"Gröger"},{"full_name":"Zscheyge, Matthias","last_name":"Zscheyge","first_name":"Matthias"},{"last_name":"Hornig","first_name":"Andreas","full_name":"Hornig, Andreas"},{"full_name":"Gude, Maik","last_name":"Gude","first_name":"Maik"}],"publication_identifier":{"issn":["0264-1275"]},"status":"public","title":"3D viscoelastic plastic model coupled with a continuum damage formulation for fiber reinforced polymers","year":"2025","intvolume":" 260","date_updated":"2026-02-27T06:43:55Z","publication_status":"published"},{"user_id":"91897","_id":"64795","language":[{"iso":"ger"}],"date_updated":"2026-02-28T12:55:30Z","status":"public","title":"Über Rätsel zur Quantenphysik – Eine spielerische Heranführung an ein abstraktes Thema","year":"2025","conference":{"location":"Oldenburg","name":"20. LeLa-Jahrestagung","start_date":"2025-03-09","end_date":"2025-03-11"},"author":[{"last_name":"Ebert","first_name":"Marc","full_name":"Ebert, Marc","id":"91897"},{"id":"30086","first_name":"Katrin","last_name":"Temmen","full_name":"Temmen, Katrin"}],"type":"conference_abstract","department":[{"_id":"300"}],"date_created":"2026-02-28T12:35:03Z","project":[{"name":"Heranführung der Generation Z an die Denkweise in der Quantenphysik (HedwiQ)","_id":"1393"}],"citation":{"ama":"Ebert M, Temmen K. Über Rätsel zur Quantenphysik – Eine spielerische Heranführung an ein abstraktes Thema. In: ; 2025.","bibtex":"@inproceedings{Ebert_Temmen_2025, title={Über Rätsel zur Quantenphysik – Eine spielerische Heranführung an ein abstraktes Thema}, author={Ebert, Marc and Temmen, Katrin}, year={2025} }","mla":"Ebert, Marc, and Katrin Temmen. Über Rätsel zur Quantenphysik – Eine spielerische Heranführung an ein abstraktes Thema. 2025.","chicago":"Ebert, Marc, and Katrin Temmen. “Über Rätsel zur Quantenphysik – Eine spielerische Heranführung an ein abstraktes Thema,” 2025.","short":"M. Ebert, K. Temmen, in: 2025.","apa":"Ebert, M., & Temmen, K. (2025). Über Rätsel zur Quantenphysik – Eine spielerische Heranführung an ein abstraktes Thema. 20. LeLa-Jahrestagung, Oldenburg.","ieee":"M. Ebert and K. Temmen, “Über Rätsel zur Quantenphysik – Eine spielerische Heranführung an ein abstraktes Thema,” presented at the 20. LeLa-Jahrestagung, Oldenburg, 2025."}},{"citation":{"mla":"Wang, Zhuoqun, et al. “Antiferromagnetic Ordering and Critical Behavior Induced Giant Magnetocaloric Effect in Distorted Kagome Lattice <mml:Math Xmlns:Mml=\"http://Www.W3.Org/1998/Math/MathML\"><mml:Mrow><mml:Mi Mathvariant=\"normal\">G</Mml:Mi><mml:Msub><mml:Mi Mathvariant=\"normal\">d</Mml:Mi><mml:Mn>3</Mml:Mn></Mml:Msub><mml:Mi>BW</Mml:Mi><mml:Msub><mml:Mi Mathvariant=\"normal\">O</Mml:Mi><mml:Mn>9</Mml:Mn></Mml:Msub></Mml:Mrow></Mml:Math>.” Physical Review Materials, vol. 9, no. 9, 094407, American Physical Society (APS), 2025, doi:10.1103/7l6y-hdw5.","bibtex":"@article{Wang_Cui_Treu_Guo_Liu_Klinger_Heil_Ma_Sheng_Deng_et al._2025, title={Antiferromagnetic ordering and critical behavior induced giant magnetocaloric effect in distorted kagome lattice <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"><mml:mrow><mml:mi mathvariant=\"normal\">G</mml:mi><mml:msub><mml:mi mathvariant=\"normal\">d</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:mi>BW</mml:mi><mml:msub><mml:mi mathvariant=\"normal\">O</mml:mi><mml:mn>9</mml:mn></mml:msub></mml:mrow></mml:math>}, volume={9}, DOI={10.1103/7l6y-hdw5}, number={9094407}, journal={Physical Review Materials}, publisher={American Physical Society (APS)}, author={Wang, Zhuoqun and Cui, Xueling and Treu, Tim and Guo, Jiesen and Liu, Xinyang and Klinger, Marvin and Heil, Christian and Ma, Nvsen and Sheng, Xianlei and Deng, Zheng and et al.}, year={2025} }","ama":"Wang Z, Cui X, Treu T, et al. Antiferromagnetic ordering and critical behavior induced giant magnetocaloric effect in distorted kagome lattice <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"><mml:mrow><mml:mi mathvariant=\"normal\">G</mml:mi><mml:msub><mml:mi mathvariant=\"normal\">d</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:mi>BW</mml:mi><mml:msub><mml:mi mathvariant=\"normal\">O</mml:mi><mml:mn>9</mml:mn></mml:msub></mml:mrow></mml:math>. Physical Review Materials. 2025;9(9). doi:10.1103/7l6y-hdw5","ieee":"Z. Wang et al., “Antiferromagnetic ordering and critical behavior induced giant magnetocaloric effect in distorted kagome lattice <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"><mml:mrow><mml:mi mathvariant=\"normal\">G</mml:mi><mml:msub><mml:mi mathvariant=\"normal\">d</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:mi>BW</mml:mi><mml:msub><mml:mi mathvariant=\"normal\">O</mml:mi><mml:mn>9</mml:mn></mml:msub></mml:mrow></mml:math>,” Physical Review Materials, vol. 9, no. 9, Art. no. 094407, 2025, doi: 10.1103/7l6y-hdw5.","apa":"Wang, Z., Cui, X., Treu, T., Guo, J., Liu, X., Klinger, M., Heil, C., Ma, N., Sheng, X., Deng, Z., Lu, X., Wang, X., Li, W., Gegenwart, P., Jin, C., & Zhao, K. (2025). Antiferromagnetic ordering and critical behavior induced giant magnetocaloric effect in distorted kagome lattice <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"><mml:mrow><mml:mi mathvariant=\"normal\">G</mml:mi><mml:msub><mml:mi mathvariant=\"normal\">d</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:mi>BW</mml:mi><mml:msub><mml:mi mathvariant=\"normal\">O</mml:mi><mml:mn>9</mml:mn></mml:msub></mml:mrow></mml:math>. Physical Review Materials, 9(9), Article 094407. https://doi.org/10.1103/7l6y-hdw5","short":"Z. Wang, X. Cui, T. Treu, J. Guo, X. Liu, M. Klinger, C. Heil, N. Ma, X. Sheng, Z. Deng, X. Lu, X. Wang, W. Li, P. Gegenwart, C. Jin, K. Zhao, Physical Review Materials 9 (2025).","chicago":"Wang, Zhuoqun, Xueling Cui, Tim Treu, Jiesen Guo, Xinyang Liu, Marvin Klinger, Christian Heil, et al. “Antiferromagnetic Ordering and Critical Behavior Induced Giant Magnetocaloric Effect in Distorted Kagome Lattice <mml:Math Xmlns:Mml=\"http://Www.W3.Org/1998/Math/MathML\"><mml:Mrow><mml:Mi Mathvariant=\"normal\">G</Mml:Mi><mml:Msub><mml:Mi Mathvariant=\"normal\">d</Mml:Mi><mml:Mn>3</Mml:Mn></Mml:Msub><mml:Mi>BW</Mml:Mi><mml:Msub><mml:Mi Mathvariant=\"normal\">O</Mml:Mi><mml:Mn>9</Mml:Mn></Mml:Msub></Mml:Mrow></Mml:Math>.” Physical Review Materials 9, no. 9 (2025). https://doi.org/10.1103/7l6y-hdw5."},"issue":"9","publication":"Physical Review Materials","date_created":"2025-09-17T13:08:11Z","type":"journal_article","author":[{"full_name":"Wang, Zhuoqun","first_name":"Zhuoqun","last_name":"Wang"},{"last_name":"Cui","first_name":"Xueling","full_name":"Cui, Xueling"},{"first_name":"Tim","last_name":"Treu","full_name":"Treu, Tim"},{"full_name":"Guo, Jiesen","first_name":"Jiesen","last_name":"Guo"},{"last_name":"Liu","first_name":"Xinyang","full_name":"Liu, Xinyang"},{"first_name":"Marvin","last_name":"Klinger","full_name":"Klinger, Marvin"},{"orcid":"0009-0006-4365-5607","last_name":"Heil","first_name":"Christian","full_name":"Heil, Christian","id":"120539"},{"full_name":"Ma, Nvsen","last_name":"Ma","first_name":"Nvsen"},{"last_name":"Sheng","first_name":"Xianlei","full_name":"Sheng, Xianlei"},{"last_name":"Deng","first_name":"Zheng","full_name":"Deng, Zheng"},{"full_name":"Lu, Xingye","first_name":"Xingye","last_name":"Lu"},{"full_name":"Wang, Xiancheng","first_name":"Xiancheng","last_name":"Wang"},{"last_name":"Li","first_name":"Wei","full_name":"Li, Wei"},{"last_name":"Gegenwart","first_name":"Philipp","full_name":"Gegenwart, Philipp"},{"full_name":"Jin, Changqing","first_name":"Changqing","last_name":"Jin"},{"full_name":"Zhao, Kan","last_name":"Zhao","first_name":"Kan"}],"publication_identifier":{"issn":["2475-9953"]},"status":"public","title":"Antiferromagnetic ordering and critical behavior induced giant magnetocaloric effect in distorted kagome lattice Gd3BWO9","year":"2025","intvolume":" 9","publication_status":"published","date_updated":"2025-09-17T14:21:31Z","language":[{"iso":"eng"}],"_id":"61328","publisher":"American Physical Society (APS)","article_number":"094407","volume":9,"user_id":"120539","doi":"10.1103/7l6y-hdw5"},{"publisher":"Kreuz","_id":"61452","language":[{"iso":"eng"}],"page":"176-183","volume":"II/1","user_id":"480","author":[{"first_name":"Harald","last_name":"Schroeter-Wittke","full_name":"Schroeter-Wittke, Harald","id":"480"},{"full_name":"Kirsner, Inge","last_name":"Kirsner","first_name":"Inge"}],"year":"2025","title":"Glanz und Gloria mitten im Leiden (Jesaja 66,10-14). 4. 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Using firm-level measures of tax complexity, we find that a one standard deviation increase in tax complexity—comparable in magnitude to the rise following the U.S. Tax Cuts and Jobs Act—is associated with a 2.6% decline in Tobin’s Q. The effect is particularly pronounced for complexity arising from anti-avoidance regulations and post-filing procedures. The negative valuation effect is more substantial for firms with limited opportunities for international profit shifting, weak governance, or low internal information quality. Further analyses reveal that tax system complexity is associated with a reduced growth potential of firms and less R&D and thus negative real responses that go beyond negative investment effects. 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Generating An Automated Assembly Graph On The Basis Of The 3D-Geometry Of A Product Assembly Group. In: Herberger D, Hübner M, eds. Proceedings of the Conference on Production Systems and Logistics: CPSL 2025. publish-Ing.; 2025:640-649."},"publication":"Proceedings of the Conference on Production Systems and Logistics: CPSL 2025","date_created":"2025-10-24T09:16:47Z","place":"Offenburg","department":[{"_id":"563"}],"type":"conference"},{"volume":80,"user_id":"480","_id":"62035","language":[{"iso":"eng"}],"page":"72-77","intvolume":" 80","date_updated":"2025-11-01T16:50:09Z","publication_identifier":{"issn":["0340-6083"]},"author":[{"full_name":"Schroeter-Wittke, Harald","first_name":"Harald","last_name":"Schroeter-Wittke","id":"480"}],"year":"2025","title":"Gratis - Köstliches zwischen den Jahren (Hebr 13,8-9b) 31.12.2025 Silvester/Altjahrsabend","status":"public","department":[{"_id":"36"},{"_id":"20"},{"_id":"501"}],"type":"journal_article","date_created":"2025-11-01T16:50:04Z","citation":{"bibtex":"@article{Schroeter-Wittke_2025, title={Gratis - Köstliches zwischen den Jahren (Hebr 13,8-9b) 31.12.2025 Silvester/Altjahrsabend}, volume={80}, number={1}, journal={Göttinger Predigtmeditationen}, author={Schroeter-Wittke, Harald}, year={2025}, pages={72–77} }","ama":"Schroeter-Wittke H. Gratis - Köstliches zwischen den Jahren (Hebr 13,8-9b) 31.12.2025 Silvester/Altjahrsabend. Göttinger Predigtmeditationen. 2025;80(1):72-77.","mla":"Schroeter-Wittke, Harald. “Gratis - Köstliches Zwischen Den Jahren (Hebr 13,8-9b) 31.12.2025 Silvester/Altjahrsabend.” Göttinger Predigtmeditationen, vol. 80, no. 1, 2025, pp. 72–77.","chicago":"Schroeter-Wittke, Harald. “Gratis - Köstliches Zwischen Den Jahren (Hebr 13,8-9b) 31.12.2025 Silvester/Altjahrsabend.” Göttinger Predigtmeditationen 80, no. 1 (2025): 72–77.","short":"H. Schroeter-Wittke, Göttinger Predigtmeditationen 80 (2025) 72–77.","ieee":"H. Schroeter-Wittke, “Gratis - Köstliches zwischen den Jahren (Hebr 13,8-9b) 31.12.2025 Silvester/Altjahrsabend,” Göttinger Predigtmeditationen, vol. 80, no. 1, pp. 72–77, 2025.","apa":"Schroeter-Wittke, H. (2025). Gratis - Köstliches zwischen den Jahren (Hebr 13,8-9b) 31.12.2025 Silvester/Altjahrsabend. Göttinger Predigtmeditationen, 80(1), 72–77."},"issue":"1","publication":"Göttinger Predigtmeditationen"},{"publication_identifier":{"issn":["0304-3975"]},"author":[{"id":"32229","first_name":"Kristian","last_name":"Hinnenthal","full_name":"Hinnenthal, Kristian"},{"full_name":"Liedtke, David Jan","first_name":"David Jan","last_name":"Liedtke","id":"55557"},{"id":"20792","full_name":"Scheideler, Christian","last_name":"Scheideler","first_name":"Christian"}],"status":"public","year":"2025","title":"Efficient shape formation by 3D hybrid programmable matter: An algorithm for low diameter intermediate structures","intvolume":" 1057","publication_status":"published","date_updated":"2025-11-03T10:21:52Z","publisher":"Elsevier BV","_id":"62051","language":[{"iso":"eng"}],"article_number":"115552","volume":1057,"user_id":"55557","doi":"10.1016/j.tcs.2025.115552","citation":{"mla":"Hinnenthal, Kristian, et al. “Efficient Shape Formation by 3D Hybrid Programmable Matter: An Algorithm for Low Diameter Intermediate Structures.” Theoretical Computer Science, vol. 1057, 115552, Elsevier BV, 2025, doi:10.1016/j.tcs.2025.115552.","ama":"Hinnenthal K, Liedtke DJ, Scheideler C. Efficient shape formation by 3D hybrid programmable matter: An algorithm for low diameter intermediate structures. Theoretical Computer Science. 2025;1057. doi:10.1016/j.tcs.2025.115552","bibtex":"@article{Hinnenthal_Liedtke_Scheideler_2025, title={Efficient shape formation by 3D hybrid programmable matter: An algorithm for low diameter intermediate structures}, volume={1057}, DOI={10.1016/j.tcs.2025.115552}, number={115552}, journal={Theoretical Computer Science}, publisher={Elsevier BV}, author={Hinnenthal, Kristian and Liedtke, David Jan and Scheideler, Christian}, year={2025} }","apa":"Hinnenthal, K., Liedtke, D. J., & Scheideler, C. (2025). Efficient shape formation by 3D hybrid programmable matter: An algorithm for low diameter intermediate structures. Theoretical Computer Science, 1057, Article 115552. https://doi.org/10.1016/j.tcs.2025.115552","ieee":"K. Hinnenthal, D. J. Liedtke, and C. Scheideler, “Efficient shape formation by 3D hybrid programmable matter: An algorithm for low diameter intermediate structures,” Theoretical Computer Science, vol. 1057, Art. no. 115552, 2025, doi: 10.1016/j.tcs.2025.115552.","short":"K. Hinnenthal, D.J. Liedtke, C. Scheideler, Theoretical Computer Science 1057 (2025).","chicago":"Hinnenthal, Kristian, David Jan Liedtke, and Christian Scheideler. “Efficient Shape Formation by 3D Hybrid Programmable Matter: An Algorithm for Low Diameter Intermediate Structures.” Theoretical Computer Science 1057 (2025). https://doi.org/10.1016/j.tcs.2025.115552."},"publication":"Theoretical Computer Science","date_created":"2025-11-03T10:19:53Z","department":[{"_id":"79"}],"type":"journal_article"},{"publication_status":"published","date_updated":"2025-11-04T07:49:39Z","intvolume":" 1","title":"Tracing the ultrafast buildup and decay of d-d transitions in FePS3","year":"2025","publication_identifier":{"issn":["2950-6360"]},"author":[{"full_name":"Nitschke, Jonah Elias","last_name":"Nitschke","first_name":"Jonah Elias"},{"full_name":"Sternemann, Lasse","first_name":"Lasse","last_name":"Sternemann"},{"first_name":"Michael","last_name":"Gutnikov","full_name":"Gutnikov, Michael"},{"first_name":"Karl","last_name":"Schiller","full_name":"Schiller, Karl"},{"last_name":"Coronado","first_name":"Eugenio","full_name":"Coronado, Eugenio"},{"full_name":"Omar, Alan","first_name":"Alan","last_name":"Omar"},{"full_name":"Zamborlini, Giovanni","first_name":"Giovanni","last_name":"Zamborlini"},{"first_name":"Clara","last_name":"Saraceno","full_name":"Saraceno, Clara"},{"full_name":"Stupar, Matija","first_name":"Matija","last_name":"Stupar"},{"last_name":"Ruiz","first_name":"Alberto M.","full_name":"Ruiz, Alberto M."},{"first_name":"Dorye L.","last_name":"Esteras","full_name":"Esteras, Dorye L."},{"full_name":"Baldoví, José J.","last_name":"Baldoví","first_name":"José J."},{"full_name":"Anders, Frithjof","first_name":"Frithjof","last_name":"Anders"},{"full_name":"Cinchetti, Mirko","last_name":"Cinchetti","first_name":"Mirko"}],"doi":"10.1016/j.newton.2025.100019","article_number":"100019","language":[{"iso":"eng"}],"issue":"2","publication":"Newton","type":"journal_article","date_created":"2025-11-04T07:49:08Z","status":"public","user_id":"30525","volume":1,"_id":"62059","publisher":"Elsevier BV","project":[{"_id":"53","name":"TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten zu funktionellen Strukturen"},{"_id":"54","name":"TRR 142 - Project Area A"},{"_id":"65","name":"TRR 142; TP A08: Nichtlineare Kopplung von Zwischenschicht-Exzitonen in van der Waals-Heterostrukturen an plasmonische und dielektrische Nanokavitäten"}],"citation":{"ieee":"J. E. Nitschke et al., “Tracing the ultrafast buildup and decay of d-d transitions in FePS3,” Newton, vol. 1, no. 2, Art. no. 100019, 2025, doi: 10.1016/j.newton.2025.100019.","apa":"Nitschke, J. E., Sternemann, L., Gutnikov, M., Schiller, K., Coronado, E., Omar, A., Zamborlini, G., Saraceno, C., Stupar, M., Ruiz, A. M., Esteras, D. L., Baldoví, J. J., Anders, F., & Cinchetti, M. (2025). Tracing the ultrafast buildup and decay of d-d transitions in FePS3. Newton, 1(2), Article 100019. https://doi.org/10.1016/j.newton.2025.100019","short":"J.E. Nitschke, L. Sternemann, M. Gutnikov, K. Schiller, E. Coronado, A. Omar, G. Zamborlini, C. Saraceno, M. Stupar, A.M. Ruiz, D.L. Esteras, J.J. Baldoví, F. Anders, M. Cinchetti, Newton 1 (2025).","chicago":"Nitschke, Jonah Elias, Lasse Sternemann, Michael Gutnikov, Karl Schiller, Eugenio Coronado, Alan Omar, Giovanni Zamborlini, et al. “Tracing the Ultrafast Buildup and Decay of D-d Transitions in FePS3.” Newton 1, no. 2 (2025). https://doi.org/10.1016/j.newton.2025.100019.","mla":"Nitschke, Jonah Elias, et al. “Tracing the Ultrafast Buildup and Decay of D-d Transitions in FePS3.” Newton, vol. 1, no. 2, 100019, Elsevier BV, 2025, doi:10.1016/j.newton.2025.100019.","bibtex":"@article{Nitschke_Sternemann_Gutnikov_Schiller_Coronado_Omar_Zamborlini_Saraceno_Stupar_Ruiz_et al._2025, title={Tracing the ultrafast buildup and decay of d-d transitions in FePS3}, volume={1}, DOI={10.1016/j.newton.2025.100019}, number={2100019}, journal={Newton}, publisher={Elsevier BV}, author={Nitschke, Jonah Elias and Sternemann, Lasse and Gutnikov, Michael and Schiller, Karl and Coronado, Eugenio and Omar, Alan and Zamborlini, Giovanni and Saraceno, Clara and Stupar, Matija and Ruiz, Alberto M. and et al.}, year={2025} }","ama":"Nitschke JE, Sternemann L, Gutnikov M, et al. Tracing the ultrafast buildup and decay of d-d transitions in FePS3. Newton. 2025;1(2). doi:10.1016/j.newton.2025.100019"}},{"citation":{"short":"R. Janus, ed., Reformation mit Hanns Dieter Hüsch feiern 31. Oktober 2025, Düsseldorf, 2025.","chicago":"Janus, Richard, ed. Reformation mit Hanns Dieter Hüsch feiern 31. Oktober 2025. Predigtstudien des Evangelischen Bundes Rheinland 6. Düsseldorf, 2025.","apa":"Janus, R. (Ed.). (2025). Reformation mit Hanns Dieter Hüsch feiern 31. Oktober 2025.","ieee":"R. Janus, Ed., Reformation mit Hanns Dieter Hüsch feiern 31. Oktober 2025. Düsseldorf, 2025.","ama":"Janus R, ed. Reformation mit Hanns Dieter Hüsch feiern 31. Oktober 2025.; 2025.","bibtex":"@book{Janus_2025, place={Düsseldorf}, series={Predigtstudien des Evangelischen Bundes Rheinland 6}, title={Reformation mit Hanns Dieter Hüsch feiern 31. Oktober 2025}, year={2025}, collection={Predigtstudien des Evangelischen Bundes Rheinland 6} }","mla":"Janus, Richard, editor. Reformation mit Hanns Dieter Hüsch feiern 31. Oktober 2025. 2025."},"type":"book_editor","department":[{"_id":"36"},{"_id":"20"},{"_id":"499"}],"place":"Düsseldorf","date_created":"2025-11-05T20:23:28Z","date_updated":"2025-11-05T20:23:50Z","publication_status":"published","title":"Reformation mit Hanns Dieter Hüsch feiern 31. Oktober 2025","year":"2025","status":"public","user_id":"31047","editor":[{"full_name":"Janus, Richard","orcid":"https://orcid.org/0009-0006-0365-4546","first_name":"Richard","last_name":"Janus","id":"31047"}],"page":"16","series_title":"Predigtstudien des Evangelischen Bundes Rheinland 6","_id":"62107","language":[{"iso":"ger"}]},{"page":"23-40","publisher":"musiconn.publish","_id":"62127","user_id":"72268","editor":[{"full_name":"Tumat, Antje","first_name":"Antje","last_name":"Tumat"},{"full_name":"Minetti, Elena","first_name":"Elena","last_name":"Minetti"},{"last_name":"Ried","first_name":"Dennis","full_name":"Ried, Dennis"},{"first_name":"Irmlind","last_name":"Capelle","full_name":"Capelle, Irmlind"}],"status":"public","oa":"1","citation":{"apa":"Tumat, A. (2025). „Ein Komponistenleben des 20. Jahrhunderts“. Erste Bestandsaufnahme und Forschungsfragen zu Hans Werner Henzes Privatbibliothek als Sondersammlung. In A. Tumat, E. Minetti, D. Ried, & I. Capelle (Eds.), Musik, Netzwerke, Selbstzeugnisse. Aktuelle Forschung zu Hans Werner Henze (pp. 23–40). musiconn.publish. https://doi.org/10.25366/2025.158","ieee":"A. Tumat, “„Ein Komponistenleben des 20. Jahrhunderts“. Erste Bestandsaufnahme und Forschungsfragen zu Hans Werner Henzes Privatbibliothek als Sondersammlung,” in Musik, Netzwerke, Selbstzeugnisse. Aktuelle Forschung zu Hans Werner Henze, A. Tumat, E. Minetti, D. Ried, and I. Capelle, Eds. musiconn.publish, 2025, pp. 23–40.","short":"A. Tumat, in: A. Tumat, E. Minetti, D. Ried, I. Capelle (Eds.), Musik, Netzwerke, Selbstzeugnisse. Aktuelle Forschung Zu Hans Werner Henze, musiconn.publish, 2025, pp. 23–40.","chicago":"Tumat, Antje. “„Ein Komponistenleben Des 20. Jahrhunderts“. Erste Bestandsaufnahme Und Forschungsfragen Zu Hans Werner Henzes Privatbibliothek Als Sondersammlung.” In Musik, Netzwerke, Selbstzeugnisse. Aktuelle Forschung Zu Hans Werner Henze, edited by Antje Tumat, Elena Minetti, Dennis Ried, and Irmlind Capelle, 23–40. musiconn.publish, 2025. https://doi.org/10.25366/2025.158.","mla":"Tumat, Antje. “„Ein Komponistenleben Des 20. Jahrhunderts“. Erste Bestandsaufnahme Und Forschungsfragen Zu Hans Werner Henzes Privatbibliothek Als Sondersammlung.” Musik, Netzwerke, Selbstzeugnisse. Aktuelle Forschung Zu Hans Werner Henze, edited by Antje Tumat et al., musiconn.publish, 2025, pp. 23–40, doi:10.25366/2025.158.","ama":"Tumat A. „Ein Komponistenleben des 20. Jahrhunderts“. Erste Bestandsaufnahme und Forschungsfragen zu Hans Werner Henzes Privatbibliothek als Sondersammlung. In: Tumat A, Minetti E, Ried D, Capelle I, eds. Musik, Netzwerke, Selbstzeugnisse. Aktuelle Forschung Zu Hans Werner Henze. musiconn.publish; 2025:23-40. doi:10.25366/2025.158","bibtex":"@inbook{Tumat_2025, title={„Ein Komponistenleben des 20. Jahrhunderts“. Erste Bestandsaufnahme und Forschungsfragen zu Hans Werner Henzes Privatbibliothek als Sondersammlung}, DOI={10.25366/2025.158}, booktitle={Musik, Netzwerke, Selbstzeugnisse. Aktuelle Forschung zu Hans Werner Henze}, publisher={musiconn.publish}, author={Tumat, Antje}, editor={Tumat, Antje and Minetti, Elena and Ried, Dennis and Capelle, Irmlind}, year={2025}, pages={23–40} }"},"main_file_link":[{"open_access":"1","url":"https://nbn-resolving.org/urn:nbn:de:bsz:14-qucosa2-983725"}],"language":[{"iso":"eng"}],"doi":"10.25366/2025.158","year":"2025","title":"„Ein Komponistenleben des 20. Jahrhunderts“. Erste Bestandsaufnahme und Forschungsfragen zu Hans Werner Henzes Privatbibliothek als Sondersammlung","author":[{"full_name":"Tumat, Antje","first_name":"Antje","last_name":"Tumat","orcid":"0009-0002-9132-0925","id":"72268"}],"publication_status":"published","date_updated":"2025-11-07T11:25:31Z","date_created":"2025-11-07T11:20:22Z","type":"book_chapter","keyword":["Hans Werner Henze","Privatbibliothek","Neue Musik"],"department":[{"_id":"233"},{"_id":"856"}],"publication":"Musik, Netzwerke, Selbstzeugnisse. Aktuelle Forschung zu Hans Werner Henze","abstract":[{"lang":"ger","text":"Henzes Privatbibliothek aus seinem Besitz in La Leprara bei Marino südlich von Rom, in dem er fast fünfzig Jahre seines Lebens verbracht und viele seiner großen Werke geschrieben hat, wurde nach dem Verkauf des Anwesens der Bibliothek des Musikwissenschaftlichen Seminars der Universität Paderborn/Hochschule für Musik Detmold per Schenkung als Sondersammlung übergeben. Die Privatbibliothek ist nunmehr vollständig inventarisiert und somit der Öffentlichkeit zugänglich gemacht. Der Text beschreibt in einer ersten Bestandsaufnahme den Charakter und die Schwerpunkte dieser Sammlung und stellt erste Forschungsfragen an den Bestand: Er fragt etwa nach den Erkenntnissen, die sich aus den über 600 handschriftlichen Widmungen in Büchern und über 150 Widmungen in Noten im Hinblick auf Henzes persönliches Netzwerk und seine Biografie ergeben und wertet einige Widmungskonvolute aus.\r\nAbstract (EN)\r\n Henze's personal library, which belonged to him in La Leprara near Marino south of Rome, where he spent almost fifty years of his life and wrote many of his important works, was donated to the library of the Musicology Seminar of the University of Paderborn/Detmold University of Music as a collection after the sale of the estate. The private library has now been completely catalogued and is thus accessible to the public. The text provides an initial overview of the character and focus of this collection and poses research questions about the holdings: For example, it asks what insights can be gained from the more than 600 handwritten dedications in books and over 150 dedications in sheet music with regard to Henze's personal network and his biography, and evaluates some of the collections of dedications."},{"text":"Henze's personal library, which belonged to him in La Leprara near Marino south of Rome, where he spent almost fifty years of his life and wrote many of his important works, was donated to the library of the Musicology Seminar of the University of Paderborn/Detmold University of Music as a collection after the sale of the estate. The private library has now been completely catalogued and is thus accessible to the public. The text provides an initial overview of the character and focus of this collection and poses research questions about the holdings: For example, it asks what insights can be gained from the more than 600 handwritten dedications in books and over 150 dedications in sheet music with regard to Henze's personal network and his biography, and evaluates some of the collections of dedications.","lang":"eng"}]},{"date_updated":"2025-11-08T22:15:43Z","status":"public","title":"Mache dich auf, werde licht! Ein Abriss des weihnachtlichen Ab und Auf anhand des Weihnachtsfilms von Penny 2022 Der Riss / Let's Talk","year":"2025","author":[{"id":"480","last_name":"Schroeter-Wittke","first_name":"Harald","full_name":"Schroeter-Wittke, Harald"}],"user_id":"480","editor":[{"full_name":"Janus, Richard","first_name":"Richard","last_name":"Janus"}],"page":"131-142","publisher":"Springer VS","_id":"62139","language":[{"iso":"eng"}],"publication":"Weihnachts-Werbespots als moderne Krippenspiele","citation":{"apa":"Schroeter-Wittke, H. (2025). Mache dich auf, werde licht! Ein Abriss des weihnachtlichen Ab und Auf anhand des Weihnachtsfilms von Penny 2022 Der Riss / Let’s Talk. In R. Janus (Ed.), Weihnachts-Werbespots als moderne Krippenspiele (pp. 131–142). Springer VS.","ieee":"H. Schroeter-Wittke, “Mache dich auf, werde licht! Ein Abriss des weihnachtlichen Ab und Auf anhand des Weihnachtsfilms von Penny 2022 Der Riss / Let’s Talk,” in Weihnachts-Werbespots als moderne Krippenspiele, R. Janus, Ed. Wiesbaden: Springer VS, 2025, pp. 131–142.","short":"H. Schroeter-Wittke, in: R. Janus (Ed.), Weihnachts-Werbespots Als Moderne Krippenspiele, Springer VS, Wiesbaden, 2025, pp. 131–142.","chicago":"Schroeter-Wittke, Harald. “Mache Dich Auf, Werde Licht! Ein Abriss Des Weihnachtlichen Ab Und Auf Anhand Des Weihnachtsfilms von Penny 2022 Der Riss / Let’s Talk.” In Weihnachts-Werbespots Als Moderne Krippenspiele, edited by Richard Janus, 131–42. Wiesbaden: Springer VS, 2025.","mla":"Schroeter-Wittke, Harald. “Mache Dich Auf, Werde Licht! Ein Abriss Des Weihnachtlichen Ab Und Auf Anhand Des Weihnachtsfilms von Penny 2022 Der Riss / Let’s Talk.” Weihnachts-Werbespots Als Moderne Krippenspiele, edited by Richard Janus, Springer VS, 2025, pp. 131–42.","ama":"Schroeter-Wittke H. Mache dich auf, werde licht! Ein Abriss des weihnachtlichen Ab und Auf anhand des Weihnachtsfilms von Penny 2022 Der Riss / Let’s Talk. In: Janus R, ed. Weihnachts-Werbespots Als Moderne Krippenspiele. Springer VS; 2025:131-142.","bibtex":"@inbook{Schroeter-Wittke_2025, place={Wiesbaden}, title={Mache dich auf, werde licht! Ein Abriss des weihnachtlichen Ab und Auf anhand des Weihnachtsfilms von Penny 2022 Der Riss / Let’s Talk}, booktitle={Weihnachts-Werbespots als moderne Krippenspiele}, publisher={Springer VS}, author={Schroeter-Wittke, Harald}, editor={Janus, Richard}, year={2025}, pages={131–142} }"},"type":"book_chapter","department":[{"_id":"36"},{"_id":"20"},{"_id":"501"}],"date_created":"2025-11-08T22:15:38Z","place":"Wiesbaden"},{"date_created":"2025-09-17T15:16:49Z","department":[{"_id":"2"},{"_id":"389"}],"keyword":["T2","T","CSSD"],"type":"journal_article","citation":{"ama":"Medvaric V, Paradies J, Werner T. Synthesis of Amidines Via P(III)/P(V)=O Redox Catalyzed In Situ Formation of Imidoyl Chlorides From Amides. Advanced Synthesis and Catalysis. Published online 2025. doi:10.1002/adsc.70059","bibtex":"@article{Medvaric_Paradies_Werner_2025, title={Synthesis of Amidines Via P(III)/P(V)=O Redox Catalyzed In Situ Formation of Imidoyl Chlorides From Amides}, DOI={10.1002/adsc.70059}, number={202500394}, journal={Advanced Synthesis and Catalysis}, publisher={Wiley}, author={Medvaric, Viktorija and Paradies, Jan and Werner, Thomas}, year={2025} }","mla":"Medvaric, Viktorija, et al. “Synthesis of Amidines Via P(III)/P(V)=O Redox Catalyzed In Situ Formation of Imidoyl Chlorides From Amides.” Advanced Synthesis and Catalysis, 202500394, Wiley, 2025, doi:10.1002/adsc.70059.","chicago":"Medvaric, Viktorija, Jan Paradies, and Thomas Werner. “Synthesis of Amidines Via P(III)/P(V)=O Redox Catalyzed In Situ Formation of Imidoyl Chlorides From Amides.” Advanced Synthesis and Catalysis, 2025. https://doi.org/10.1002/adsc.70059.","short":"V. Medvaric, J. Paradies, T. Werner, Advanced Synthesis and Catalysis (2025).","apa":"Medvaric, V., Paradies, J., & Werner, T. (2025). Synthesis of Amidines Via P(III)/P(V)=O Redox Catalyzed In Situ Formation of Imidoyl Chlorides From Amides. Advanced Synthesis and Catalysis, Article 202500394. https://doi.org/10.1002/adsc.70059","ieee":"V. Medvaric, J. Paradies, and T. Werner, “Synthesis of Amidines Via P(III)/P(V)=O Redox Catalyzed In Situ Formation of Imidoyl Chlorides From Amides,” Advanced Synthesis and Catalysis, Art. no. 202500394, 2025, doi: 10.1002/adsc.70059."},"publication":"Advanced Synthesis and Catalysis","abstract":[{"lang":"eng","text":"Amidines are a ubiquitous class of bioactive compounds found in a wide variety of natural products; thus, efficient strategies for their preparation are in great demand. Herein, a novel protocol is reported for the synthesis of amidines based on PIII/PVO redox catalysis. This two‐step, one‐pot approach involves the activation of amides via PIII/PVO catalyzed in situ formation of imidoyl chloride intermediates which are directly converted upon reaction with amines into the corresponding amidines. Instead of traditionally used toxic and corrosive chloride sources, hexachloroacetone (HCA) is successfully employed as a halide source. The reaction proceeds with low catalyst loading (2 mol%) in BuOAc as the solvent. Under the optimized conditions, 20 amidines are prepared in yields up to 99%. A feasible mechanism is proposed based on experimental results. The synthetic potential of this method is evaluated in the preparation of the tyrosine kinase inhibitor (TKI) Erlotinib."}],"publisher":"Wiley","_id":"61335","language":[{"iso":"eng"}],"article_number":"202500394","doi":"10.1002/adsc.70059","user_id":"89271","publication_identifier":{"issn":["1615-4150","1615-4169"]},"author":[{"id":"92677","full_name":"Medvaric, Viktorija","last_name":"Medvaric","first_name":"Viktorija"},{"last_name":"Paradies","first_name":"Jan","orcid":"0000-0002-3698-668X","full_name":"Paradies, Jan","id":"53339"},{"first_name":"Thomas","last_name":"Werner","orcid":"0000-0001-9025-3244","full_name":"Werner, Thomas","id":"89271"}],"year":"2025","title":"Synthesis of Amidines Via P(III)/P(V)=O Redox Catalyzed In Situ Formation of Imidoyl Chlorides From Amides","status":"public","date_updated":"2025-11-10T08:44:04Z","publication_status":"published"}]