Development of a multi-step screening procedure for redox active molecules in organic radical polymer anodes and as redox flow anolytes.

Autor: Achazi AJ; Physikalisch-Chemisches Institut, Justus-Liebig-Universität Gießen, Gießen, Germany.; Zentrum für Materialforschung, Justus-Liebig-Universität Gießen, Gießen, Germany., Fataj X; Laboratory of Organic and Macromolecular Chemistry (IOMC), Friedrich Schiller University Jena, Jena, Germany.; Center for Energy and Environmental Chemistry Jena (CEEC Jena), Friedrich Schiller University Jena, Jena, Germany., Rohland P; Laboratory of Organic and Macromolecular Chemistry (IOMC), Friedrich Schiller University Jena, Jena, Germany.; Center for Energy and Environmental Chemistry Jena (CEEC Jena), Friedrich Schiller University Jena, Jena, Germany., Hager MD; Laboratory of Organic and Macromolecular Chemistry (IOMC), Friedrich Schiller University Jena, Jena, Germany.; Center for Energy and Environmental Chemistry Jena (CEEC Jena), Friedrich Schiller University Jena, Jena, Germany., Schubert US; Laboratory of Organic and Macromolecular Chemistry (IOMC), Friedrich Schiller University Jena, Jena, Germany.; Center for Energy and Environmental Chemistry Jena (CEEC Jena), Friedrich Schiller University Jena, Jena, Germany., Mollenhauer D; Physikalisch-Chemisches Institut, Justus-Liebig-Universität Gießen, Gießen, Germany.; Zentrum für Materialforschung, Justus-Liebig-Universität Gießen, Gießen, Germany.

Publikováno v: Journal of computational chemistry [J Comput Chem] 2024 May 30; Vol. 45 (14), pp. 1112-1129. Date of Electronic Publication: 2024 Jan 23.

Development of Novel Redox-Active Organic Materials Based on Benzimidazole, Benzoxazole, and Benzothiazole: A Combined Theoretical and Experimental Screening Approach.

Autor: Fataj X; Laboratory of Organic and Macromolecular Chemistry (IOMC), Friedrich Schiller University Jena, Humboldtstraße 10, 07743, Jena, Germany.; Center for Energy and Environmental Chemistry Jena (CEEC Jena), Friedrich Schiller University Jena, Philosophenweg 7a, 07743, Jena, Germany., Achazi AJ; Institute of Physical Chemistry, Justus-Liebig University Giessen, Heinrich-Buff-Ring 17, 35392, Gießen, Germany.; Center for Materials Research, Justus-Liebig University Giessen, Heinrich-Buff-Ring 16, 35392, Giessen, Germany., Rohland P; Laboratory of Organic and Macromolecular Chemistry (IOMC), Friedrich Schiller University Jena, Humboldtstraße 10, 07743, Jena, Germany.; Center for Energy and Environmental Chemistry Jena (CEEC Jena), Friedrich Schiller University Jena, Philosophenweg 7a, 07743, Jena, Germany., Schröter E; Laboratory of Organic and Macromolecular Chemistry (IOMC), Friedrich Schiller University Jena, Humboldtstraße 10, 07743, Jena, Germany.; Center for Energy and Environmental Chemistry Jena (CEEC Jena), Friedrich Schiller University Jena, Philosophenweg 7a, 07743, Jena, Germany., Muench S; Laboratory of Organic and Macromolecular Chemistry (IOMC), Friedrich Schiller University Jena, Humboldtstraße 10, 07743, Jena, Germany.; Center for Energy and Environmental Chemistry Jena (CEEC Jena), Friedrich Schiller University Jena, Philosophenweg 7a, 07743, Jena, Germany., Burges R; Laboratory of Organic and Macromolecular Chemistry (IOMC), Friedrich Schiller University Jena, Humboldtstraße 10, 07743, Jena, Germany.; Center for Energy and Environmental Chemistry Jena (CEEC Jena), Friedrich Schiller University Jena, Philosophenweg 7a, 07743, Jena, Germany., Pohl KLH; Institute of Physical Chemistry, Justus-Liebig University Giessen, Heinrich-Buff-Ring 17, 35392, Gießen, Germany.; Center for Materials Research, Justus-Liebig University Giessen, Heinrich-Buff-Ring 16, 35392, Giessen, Germany., Mollenhauer D; Institute of Physical Chemistry, Justus-Liebig University Giessen, Heinrich-Buff-Ring 17, 35392, Gießen, Germany.; Center for Materials Research, Justus-Liebig University Giessen, Heinrich-Buff-Ring 16, 35392, Giessen, Germany., Hager MD; Laboratory of Organic and Macromolecular Chemistry (IOMC), Friedrich Schiller University Jena, Humboldtstraße 10, 07743, Jena, Germany.; Center for Energy and Environmental Chemistry Jena (CEEC Jena), Friedrich Schiller University Jena, Philosophenweg 7a, 07743, Jena, Germany., Schubert US; Laboratory of Organic and Macromolecular Chemistry (IOMC), Friedrich Schiller University Jena, Humboldtstraße 10, 07743, Jena, Germany.; Center for Energy and Environmental Chemistry Jena (CEEC Jena), Friedrich Schiller University Jena, Philosophenweg 7a, 07743, Jena, Germany.

Publikováno v: Chemistry (Weinheim an der Bergstrasse, Germany) [Chemistry] 2024 Jan 26; Vol. 30 (6), pp. e202302979. Date of Electronic Publication: 2023 Dec 08.

Samarium Diiodide Acting on Acetone-Modeling Single Electron Transfer Energetics in Solution.

Autor: Steiner L; Institute of Physical und Theoretical Chemistry, NAWI Graz, Graz University of Technology, Stremayrgasse 9, 8010 Graz, Austria.; Institut für Chemie und Biochemie, Freie Universität Berlin, Arnimallee 22, 14195 Berlin, Germany., Achazi AJ; Physikalisch-Chemisches Institut, Justus-Liebig-Universität Giessen, 35392 Giessen, Germany., Vlaisavljevich B; Department of Chemistry, University of South Dakota, 414 E. Clark St., Vermillion, SD 57069, USA., Miro P; Department of Chemistry, University of South Dakota, 414 E. Clark St., Vermillion, SD 57069, USA., Paulus B; Institut für Chemie und Biochemie, Freie Universität Berlin, Arnimallee 22, 14195 Berlin, Germany., Kelterer AM; Institute of Physical und Theoretical Chemistry, NAWI Graz, Graz University of Technology, Stremayrgasse 9, 8010 Graz, Austria.

Publikováno v: Molecules (Basel, Switzerland) [Molecules] 2022 Dec 08; Vol. 27 (24). Date of Electronic Publication: 2022 Dec 08.

Computational Insights into the Nucleation of Mixed-Valent Polyoxovanadate Alkoxide Clusters.

Autor: Rabbani SMG; Department of Chemistry, University of South Dakota, Vermillion, South Dakota 57069, United States., Achazi AJ; Department of Chemistry, University of South Dakota, Vermillion, South Dakota 57069, United States., Miró P; Department of Chemistry, University of South Dakota, Vermillion, South Dakota 57069, United States.

Publikováno v: Inorganic chemistry [Inorg Chem] 2021 May 17; Vol. 60 (10), pp. 7262-7268. Date of Electronic Publication: 2021 Apr 23.

Rechargeable aluminum batteries: effects of cations in ionic liquid electrolytes.

Autor: Zhu G; Department of Chemistry, Stanford University Stanford California 94305 USA hdai1@stanford.edu., Angell M; Department of Chemistry, Stanford University Stanford California 94305 USA hdai1@stanford.edu., Pan CJ; Department of Chemistry, Stanford University Stanford California 94305 USA hdai1@stanford.edu.; Department of Chemical Engineering, National Taiwan University of Science and Technology Taipei 10607 Taiwan., Lin MC; College of Electrical Engineering and Automation, Shandong University of Science and Technology Qingdao 266590 People's Republic of China., Chen H; College of Electrical Engineering and Automation, Shandong University of Science and Technology Qingdao 266590 People's Republic of China., Huang CJ; Department of Chemical Engineering, National Taiwan University of Science and Technology Taipei 10607 Taiwan., Lin J; Department of Chemistry, Stanford University Stanford California 94305 USA hdai1@stanford.edu., Achazi AJ; Physikalische und Theoretische Chemie, Freie Universität Berlin Takustr. 3 D-14195 Berlin Germany.; Department of Chemistry, University of South Dakota 414 E. Clark St. Vermillion SD 57069 USA., Kaghazchi P; Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research (IEK-1), Materials Synthesis and Processing Wilhelm-Johnen-Straße, 52425 Jülich Germany., Hwang BJ; Department of Chemical Engineering, National Taiwan University of Science and Technology Taipei 10607 Taiwan., Dai H; Department of Chemistry, Stanford University Stanford California 94305 USA hdai1@stanford.edu.

Publikováno v: RSC advances [RSC Adv] 2019 Apr 11; Vol. 9 (20), pp. 11322-11330. Date of Electronic Publication: 2019 Apr 11 (Print Publication: 2019).