July 26, 2024 Dataset Open Access

Mitrofanov, Andrei; Dreimann, Oliver; Zakirova, Karina; Waentig, Albrecht L.; Wrzesińska-Lashkova, Angelika; Kuc, Agnieszka Beata; Ruck, Michael; Vaynzof, Yana; Feng, Xinliang; Voit, Brigitte

Dublin Core Export

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  <dc:creator>Mitrofanov, Andrei</dc:creator>
  <dc:creator>Dreimann, Oliver</dc:creator>
  <dc:creator>Zakirova, Karina</dc:creator>
  <dc:creator>Waentig, Albrecht L.</dc:creator>
  <dc:creator>Wrzesińska-Lashkova, Angelika</dc:creator>
  <dc:creator>Kuc, Agnieszka Beata</dc:creator>
  <dc:creator>Ruck, Michael</dc:creator>
  <dc:creator>Vaynzof, Yana</dc:creator>
  <dc:creator>Feng, Xinliang</dc:creator>
  <dc:creator>Voit, Brigitte</dc:creator>
  <dc:date>2024-07-26</dc:date>
  <dc:description>Structural and electronic properties simulated using DFT/PBE level of theory with TS dispersion correction as implemented in FHI-Aims code.</dc:description>
  <dc:identifier>https://rodare.hzdr.de/record/3198</dc:identifier>
  <dc:identifier>10.14278/rodare.3198</dc:identifier>
  <dc:identifier>oai:rodare.hzdr.de:3198</dc:identifier>
  <dc:relation>doi:10.1021/acs.inorgchem.4c01711</dc:relation>
  <dc:relation>url:https://www.hzdr.de/publications/Publ-39743</dc:relation>
  <dc:relation>url:https://www.hzdr.de/publications/Publ-39027</dc:relation>
  <dc:relation>doi:10.14278/rodare.3197</dc:relation>
  <dc:relation>url:https://rodare.hzdr.de/communities/matter</dc:relation>
  <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
  <dc:title>Data publication: Simulation results on Aminophenyl Viologen</dc:title>
  <dc:type>info:eu-repo/semantics/other</dc:type>
  <dc:type>dataset</dc:type>
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