@article{45006,
  author       = {{Triolo, A. and Pietro, M. E. Di and Mele, A. and Celso, F. Lo and Brehm, Martin and Lisio, V. Di and Martinelli, A. and Chater, P. and Russina, O.}},
  journal      = {{J. Chem. Phys.}},
  pages        = {{244501}},
  title        = {{{Liquid Structure and Dynamics in the Choline Acetate:Urea 1:2 Deep Eutectic Solvent}}},
  doi          = {{10.1063/5.0054048}},
  volume       = {{154}},
  year         = {{2021}},
}

@article{45003,
  author       = {{Codescu, M.-A. and Weiß, M. and Brehm, Martin and Kornilov, O. and Sebastiani, D. and Nibbering, E. T. J.}},
  journal      = {{J. Phys. Chem. A}},
  pages        = {{1845--1859}},
  title        = {{{Switching Between Proton Vacancy and Excess Proton Transfer Pathways in the Reaction Between 7-Hydroxyquinoline and Formate}}},
  doi          = {{10.1021/acs.jpca.0c10191}},
  volume       = {{125 (9)}},
  year         = {{2021}},
}

@article{45000,
  author       = {{Mukherjee, M. and Tripathi, D. and Brehm, Martin and Riplinger, C. and Dutta, A. K.}},
  journal      = {{J. Chem. Theory Comput.}},
  pages        = {{105--116}},
  title        = {{{Efficient EOM-CC-Based Protocol for the Calculation of Electron Affinity of Solvated Nucleobases: Uracil as a Case Study}}},
  doi          = {{10.1021/acs.jctc.0c00655}},
  volume       = {{17 (1)}},
  year         = {{2021}},
}

@article{45002,
  author       = {{Triolo, A. and Celso, F. Lo and Brehm, Martin and Lisio, V. Di and Russina, O.}},
  journal      = {{J. Mol. Liq.}},
  pages        = {{115750}},
  title        = {{{Liquid Structure of a Choline Chloride-Water Natural Deep Eutectic Solvent: A Molecular Dynamics Characterization}}},
  doi          = {{10.1016/j.molliq.2021.115750}},
  volume       = {{331}},
  year         = {{2021}},
}

@article{24566,
  author       = {{Engelkemeier, Katja and Sun, Aijia and Voswinkel, Dietrich and Grydin, Olexandr and Schaper, Mirko and Bremser, Wolfgang}},
  issn         = {{2196-0216}},
  journal      = {{ChemElectroChem}},
  pages        = {{2155--2168}},
  publisher    = {{Wiley}},
  title        = {{{Zinc Anodizing: Structural Diversity of Anodic Zinc Oxide Controlled by the Type of Electrolyte}}},
  doi          = {{10.1002/celc.202100216}},
  year         = {{2021}},
}

@inproceedings{33545,
  author       = {{Elsner, Julia and Tenberge, Claudia and Fechner, Sabine}},
  booktitle    = {{Naturwissenschaftlicher Unterricht und Lehrerbildung im Umbruch?}},
  editor       = {{Habig, Sebastian}},
  pages        = {{609--612}},
  title        = {{{Unterstützung des Modellierungsprozesses durch Analogiebildung im Sachunterricht}}},
  volume       = {{41}},
  year         = {{2021}},
}

@inbook{29936,
  author       = {{Ramaswami, Arjun and Kenter, Tobias and Kühne, Thomas and Plessl, Christian}},
  booktitle    = {{Applied Reconfigurable Computing. Architectures, Tools, and Applications}},
  isbn         = {{9783030790240}},
  issn         = {{0302-9743}},
  publisher    = {{Springer International Publishing}},
  title        = {{{Evaluating the Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance Computing}}},
  doi          = {{10.1007/978-3-030-79025-7_21}},
  year         = {{2021}},
}

@article{41007,
  abstract     = {{Two closely related FeII complexes with 2,6-bis(1-ethyl-1H-1,2,3-triazol-4yl)pyridine and 2,6-bis(1,2,3-triazol-5-ylidene)pyridine ligands are presented to gain new insights into the photophysics of bis(tridentate) iron(II) complexes. The [Fe(N^N^N)2]2+ pseudoisomer sensitizes singlet oxygen through a MC state with nanosecond lifetime after MLCT excitation, while the bis(tridentate) [Fe(C^N^C)2]2+ pseudoisomer possesses a similar 3MLCT lifetime as the tris(bidentate) [Fe(C^C)2(N^N)]2+ complexes with four mesoionic carbenes.}},
  author       = {{Dierks, Philipp and Kruse, Ayla and Bokareva, Olga S. and Al-Marri, Mohammed J. and Kalmbach, Jens and Baltrun, Marc and Neuba, Adam and Schoch, Roland and Hohloch, Stephan and Heinze, Katja and Seitz, Michael and Kühn, Oliver and Lochbrunner, Stefan and Bauer, Matthias}},
  issn         = {{1359-7345}},
  journal      = {{Chemical Communications}},
  keywords     = {{Materials Chemistry, Metals and Alloys, Surfaces, Coatings and Films, General Chemistry, Ceramics and Composite, Metallkomplexe, Optical and Magnetic Materials, Catalysis}},
  number       = {{54}},
  pages        = {{6640--6643}},
  publisher    = {{Royal Society of Chemistry (RSC)}},
  title        = {{{Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(ii) complexes}}},
  doi          = {{10.1039/d1cc01716k}},
  volume       = {{57}},
  year         = {{2021}},
}

@article{59620,
  author       = {{Rust, Tarik and Jung, Dimitri and Hoppe, Axel and Schoppa, Timo and Langer, Klaus and Kuckling, Dirk}},
  issn         = {{2637-6105}},
  journal      = {{ACS Applied Polymer Materials}},
  keywords     = {{backbone-degradable, light-responsive, redox-responsive, drug delivery, nanoparticles}},
  number       = {{8}},
  pages        = {{3831--3842}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Backbone-Degradable (Co-)Polymers for Light-Triggered Drug Delivery}}},
  doi          = {{10.1021/acsapm.1c00411}},
  volume       = {{3}},
  year         = {{2021}},
}

@article{22859,
  author       = {{Grothe, Richard and Striewe, Jan Andre and Meinderink, Dennis and Tröster, Thomas and Grundmeier, Guido}},
  journal      = {{The Journal of Adhesion}},
  publisher    = {{Taylor & Francis }},
  title        = {{{Enhanced corrosion resistance of adhesive/galvanised steel interfaces by nanocrystalline ZnO thin film deposition and molecular adhesion promoting films}}},
  doi          = {{10.1080/00218464.2021.1957676}},
  year         = {{2021}},
}

@article{37947,
  author       = {{Paradies, Jan and Andexer, Jennifer and Beifuss, Uwe and Beuerle, Florian and Brasholz, Malte and Breinbauer, Rolf and Ernst, Martin and Ganardi, Ruth and Gulder, Tobias A. M. and Hüttel, Wolfgang and Kath‐Schorr, Stephanie and Körber, Karsten and Kordes, Markus and Lehmann, Matthias and Lindel, Thomas and Luy, Burkhard and Mück‐Lichtenfeld, Christian and Muhle‐Goll, Claudia and Niemeyer, Jochen and Pfau, Roland and Pietruszka, Jörg and Röckl, Johannes L. and Schaschke, Norbert and Senge, Mathias O. and Straub, Bernd F. and Waldvogel, Siegfried R. and Werner, Thomas and Werz, Daniel B. and Winter, Christian}},
  issn         = {{1439-9598}},
  journal      = {{Nachrichten aus der Chemie}},
  keywords     = {{General Chemical Engineering, General Chemistry}},
  number       = {{3}},
  pages        = {{38--68}},
  publisher    = {{Wiley}},
  title        = {{{Organische Chemie}}},
  doi          = {{10.1002/nadc.20214105947}},
  volume       = {{69}},
  year         = {{2021}},
}

@article{37950,
  author       = {{Hu, Yuya and Wei, Zhihong and Frey, Anna and Kubis, Christoph and Ren, Chang‐Yue and Spannenberg, Anke and Jiao, Haijun and Werner, Thomas}},
  issn         = {{1864-5631}},
  journal      = {{ChemSusChem}},
  keywords     = {{T1}},
  number       = {{1}},
  pages        = {{363--372}},
  publisher    = {{Wiley}},
  title        = {{{Catalytic, Kinetic, and Mechanistic Insights into the Fixation of CO<sub>2</sub> with Epoxides Catalyzed by Phenol‐Functionalized Phosphonium Salts}}},
  doi          = {{10.1002/cssc.202002267}},
  volume       = {{14}},
  year         = {{2021}},
}

@article{37946,
  abstract     = {{<jats:title>Abstract</jats:title><jats:p>The facile synthesis of highly functionalized building blocks with potential biological activity is of great interest to medicinal chemistry. The benzoxepinone core structures commonly exhibit biological activity. Thus, a short and efficient synthetic route towards benzoxepine containing scaffold, which enables late stage modification was developed. Namely, base-free catalytic Wittig reactions enabled the synthesis of bromobenzoxepinones from readily available starting materials. Subsequent, Suzuki–Miyaura and Stille reactions proved to be suitable methods to access a variety of benzoxepinone diaryl derivatives by late stage modification in only three steps. This three-step reaction sequence is suitable for high throughput applications and gives facile access to highly complex molecular structures, which are suitable for further functionalization. The antiproliferative properties of selected arylbenzoxepinones­ were tested in vitro on monolayer tumor cell line A549. Notably, in this initial screening, these compounds were found to be active in the micromolar range.</jats:p>}},
  author       = {{Werner, Thomas and Grandane, Aiga and Pudnika, Linda and Domraceva, Ilona and Zalubovskis, Raivis}},
  issn         = {{0039-7881}},
  journal      = {{Synthesis}},
  keywords     = {{T2, T4, CSSD}},
  number       = {{19}},
  pages        = {{3545--3554}},
  publisher    = {{Georg Thieme Verlag KG}},
  title        = {{{Base-Free Catalytic Wittig-/Cross-Coupling Reaction Sequence as Short Synthetic Strategy for the Preparation of Highly Functionalized Arylbenzoxepinones}}},
  doi          = {{10.1055/a-1509-6078}},
  volume       = {{53}},
  year         = {{2021}},
}

@article{37944,
  abstract     = {{<p>A Mn–PNP complex proved to be a suitable catalyst for the transfer hydrogenation of amides, carbamates, urea derivatives and even polyurethanes.</p>}},
  author       = {{Liu, Xin and Werner, Thomas}},
  issn         = {{2041-6520}},
  journal      = {{Chemical Science}},
  keywords     = {{T1, T3, CSSD}},
  number       = {{31}},
  pages        = {{10590--10597}},
  publisher    = {{Royal Society of Chemistry (RSC)}},
  title        = {{{Indirect reduction of CO<sub>2</sub> and recycling of polymers by manganese-catalyzed transfer hydrogenation of amides, carbamates, urea derivatives, and polyurethanes}}},
  doi          = {{10.1039/d1sc02663a}},
  volume       = {{12}},
  year         = {{2021}},
}

@article{37945,
  abstract     = {{<p>PMHS proved to be a suitable terminal reductant for P(<sc>iii</sc>)/P(<sc>v</sc>) redox cycling with a methyl-substituted phosphetane as catalyst and BuOAc as solvent. The formation of water by silanol condensation was identified as main pathway of siloxane formation.</p>}},
  author       = {{Tönjes, Jan and Longwitz, Lars and Werner, Thomas}},
  issn         = {{1463-9262}},
  journal      = {{Green Chemistry}},
  keywords     = {{T2, CSSD}},
  number       = {{13}},
  pages        = {{4852--4857}},
  publisher    = {{Royal Society of Chemistry (RSC)}},
  title        = {{{Poly(methylhydrosiloxane) as a reductant in the catalytic base-free Wittig reaction}}},
  doi          = {{10.1039/d1gc00953b}},
  volume       = {{23}},
  year         = {{2021}},
}

@article{62098,
  author       = {{Stefanow, Vivian and Grandane, Aiga and Eh, Marcus and Panten, Johannes and Spannenberg, Anke and Werner, Thomas}},
  issn         = {{1083-6160}},
  journal      = {{Organic Process Research &amp; Development}},
  keywords     = {{T4, CSSD}},
  number       = {{1}},
  pages        = {{89--97}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Stereoselective Synthesis of a<i>cis</i>-Cedrane-8,9-diol as a Key Intermediate for an Amber Odorant}}},
  doi          = {{10.1021/acs.oprd.0c00423}},
  volume       = {{25}},
  year         = {{2021}},
}

@article{62099,
  author       = {{Stefanow, Vivian and Grandane, Aiga and Eh, Marcus and Panten, Johannes and Spannenberg, Anke and Werner, Thomas}},
  issn         = {{1083-6160}},
  journal      = {{Organic Process Research &amp; Development}},
  keywords     = {{T4, CSSD}},
  number       = {{1}},
  pages        = {{89--97}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Stereoselective Synthesis of a<i>cis</i>-Cedrane-8,9-diol as a Key Intermediate for an Amber Odorant}}},
  doi          = {{10.1021/acs.oprd.0c00423}},
  volume       = {{25}},
  year         = {{2021}},
}

@article{37943,
  author       = {{Wirth, Marisa A. and Longwitz, Lars and Kanwischer, Marion and Gros, Peter and Leinweber, Peter and Werner, Thomas}},
  issn         = {{0147-6513}},
  journal      = {{Ecotoxicology and Environmental Safety}},
  keywords     = {{T4, CSSD}},
  publisher    = {{Elsevier BV}},
  title        = {{{AMPA-15N – Synthesis and application as standard compound in traceable degradation studies of glyphosate}}},
  doi          = {{10.1016/j.ecoenv.2021.112768}},
  volume       = {{225}},
  year         = {{2021}},
}

@article{37948,
  author       = {{Liu, Xin and Werner, Thomas}},
  issn         = {{1615-4150}},
  journal      = {{Advanced Synthesis and Catalysis}},
  keywords     = {{T1, T3, CSSD}},
  number       = {{4}},
  pages        = {{1096--1104}},
  publisher    = {{Wiley}},
  title        = {{{Selective Construction of C−C and C=C Bonds by Manganese Catalyzed Coupling of Alcohols with Phosphorus Ylides}}},
  doi          = {{10.1002/adsc.202001209}},
  volume       = {{363}},
  year         = {{2021}},
}

@article{62803,
  abstract     = {{The aim to produce highly active, selective, and long-lived electrocatalysts by design drives major research efforts toward gaining fundamental understanding of the relationship between material properties and their catalytic performance. Surface characterization tools enable to assess atomic scale information on the complexity of electrocatalyst materials. Advancing electrochemical methodologies to adequately characterize such systems was less of a research focus point. In this Review, we shed light on the ability to gain fundamental insights into electrocatalysis from a complementary perspective and establish corresponding design strategies. These may rely on adopting the perceptions and models of other subareas of electrochemistry, such as corrosion, battery research, or electrodeposition. Concepts on how to account for and improve mass transport, manage gas bubble release, or exploit magnetic fields are highlighted in this respect. Particular attention is paid to deriving design strategies for nanoelectrocatalysts, which is often impeded, as structural and physical material properties are buried in electrochemical data of whole electrodes or even devices. Thus, a second major approach focuses on overcoming this difference in the considered level of complexity by methods of single-entity electrochemistry. The gained understanding of intrinsic catalyst performance may allow to rationally advance design concepts with increased complexity, such as three-dimensional electrode architectures. Many materials undergo structural changes upon formation of the working catalyst. Accordingly, developing “precatalysts” with low hindrance of the electrochemical transformation to the active catalyst is suggested as a final design strategy.}},
  author       = {{Linnemann, Julia and Kanokkanchana, Kannasoot and Tschulik, Kristina}},
  issn         = {{2155-5435}},
  journal      = {{ACS Catalysis}},
  keywords     = {{electrocatalysis}},
  number       = {{9}},
  pages        = {{5318--5346}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Design Strategies for Electrocatalysts from an Electrochemist’s Perspective}}},
  doi          = {{10.1021/acscatal.0c04118}},
  volume       = {{11}},
  year         = {{2021}},
}