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

DataCite XML Export

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  <identifier identifierType="DOI">10.14278/rodare.3198</identifier>
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    <creator>
      <creatorName>Mitrofanov, Andrei</creatorName>
      <givenName>Andrei</givenName>
      <familyName>Mitrofanov</familyName>
      <affiliation>TUD</affiliation>
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    <creator>
      <creatorName>Dreimann, Oliver</creatorName>
      <givenName>Oliver</givenName>
      <familyName>Dreimann</familyName>
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      <creatorName>Zakirova, Karina</creatorName>
      <givenName>Karina</givenName>
      <familyName>Zakirova</familyName>
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    <creator>
      <creatorName>Waentig, Albrecht L.</creatorName>
      <givenName>Albrecht L.</givenName>
      <familyName>Waentig</familyName>
    </creator>
    <creator>
      <creatorName>Wrzesińska-Lashkova, Angelika</creatorName>
      <givenName>Angelika</givenName>
      <familyName>Wrzesińska-Lashkova</familyName>
    </creator>
    <creator>
      <creatorName>Kuc, Agnieszka Beata</creatorName>
      <givenName>Agnieszka Beata</givenName>
      <familyName>Kuc</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-9458-4136</nameIdentifier>
      <affiliation>HZDR</affiliation>
    </creator>
    <creator>
      <creatorName>Ruck, Michael</creatorName>
      <givenName>Michael</givenName>
      <familyName>Ruck</familyName>
    </creator>
    <creator>
      <creatorName>Vaynzof, Yana</creatorName>
      <givenName>Yana</givenName>
      <familyName>Vaynzof</familyName>
    </creator>
    <creator>
      <creatorName>Feng, Xinliang</creatorName>
      <givenName>Xinliang</givenName>
      <familyName>Feng</familyName>
      <affiliation>TUD</affiliation>
    </creator>
    <creator>
      <creatorName>Voit, Brigitte</creatorName>
      <givenName>Brigitte</givenName>
      <familyName>Voit</familyName>
      <affiliation>TUD</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Data publication: Simulation results on Aminophenyl Viologen</title>
  </titles>
  <publisher>Rodare</publisher>
  <publicationYear>2024</publicationYear>
  <dates>
    <date dateType="Issued">2024-07-26</date>
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    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsReferencedBy">10.1021/acs.inorgchem.4c01711</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsIdenticalTo">https://www.hzdr.de/publications/Publ-39743</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsReferencedBy">https://www.hzdr.de/publications/Publ-39027</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.14278/rodare.3197</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsPartOf">https://rodare.hzdr.de/communities/crc1415</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsPartOf">https://rodare.hzdr.de/communities/matter</relatedIdentifier>
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  <rightsList>
    <rights rightsURI="https://creativecommons.org/licenses/by/4.0/legalcode">Creative Commons Attribution 4.0 International</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;Structural and electronic properties simulated using DFT/PBE level of theory with TS dispersion correction as implemented in FHI-Aims code.&lt;/p&gt;</description>
  </descriptions>
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