January 12, 2022 Dataset Open Access

Lokamani, Mani; Kelling, Jeffrey; Ohmann, Robin; Meyer, Jörg; Kühne, Tim; Cuniberti, Gianaurello; Wolf, Jannic; Juckeland, Guido; Huhn, Thomas; Zahn, Peter; Moresco, Francesca; Gemming, Sibylle

DataCite XML Export

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  <identifier identifierType="DOI">10.14278/rodare.1375</identifier>
  <creators>
    <creator>
      <creatorName>Lokamani, Mani</creatorName>
      <givenName>Mani</givenName>
      <familyName>Lokamani</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-8679-5905</nameIdentifier>
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    <creator>
      <creatorName>Kelling, Jeffrey</creatorName>
      <givenName>Jeffrey</givenName>
      <familyName>Kelling</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0003-1761-2591</nameIdentifier>
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    <creator>
      <creatorName>Ohmann, Robin</creatorName>
      <givenName>Robin</givenName>
      <familyName>Ohmann</familyName>
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    <creator>
      <creatorName>Meyer, Jörg</creatorName>
      <givenName>Jörg</givenName>
      <familyName>Meyer</familyName>
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    <creator>
      <creatorName>Kühne, Tim</creatorName>
      <givenName>Tim</givenName>
      <familyName>Kühne</familyName>
    </creator>
    <creator>
      <creatorName>Cuniberti, Gianaurello</creatorName>
      <givenName>Gianaurello</givenName>
      <familyName>Cuniberti</familyName>
    </creator>
    <creator>
      <creatorName>Wolf, Jannic</creatorName>
      <givenName>Jannic</givenName>
      <familyName>Wolf</familyName>
    </creator>
    <creator>
      <creatorName>Juckeland, Guido</creatorName>
      <givenName>Guido</givenName>
      <familyName>Juckeland</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-9935-4428</nameIdentifier>
    </creator>
    <creator>
      <creatorName>Huhn, Thomas</creatorName>
      <givenName>Thomas</givenName>
      <familyName>Huhn</familyName>
    </creator>
    <creator>
      <creatorName>Zahn, Peter</creatorName>
      <givenName>Peter</givenName>
      <familyName>Zahn</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0003-4756-5239</nameIdentifier>
    </creator>
    <creator>
      <creatorName>Moresco, Francesca</creatorName>
      <givenName>Francesca</givenName>
      <familyName>Moresco</familyName>
    </creator>
    <creator>
      <creatorName>Gemming, Sibylle</creatorName>
      <givenName>Sibylle</givenName>
      <familyName>Gemming</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0003-0455-1945</nameIdentifier>
    </creator>
  </creators>
  <titles>
    <title>Data publication: Describing chain-like assembly of ethoxygroup-functionalized organic molecules on Au(111) using high-throughput simulations</title>
  </titles>
  <publisher>Rodare</publisher>
  <publicationYear>2022</publicationYear>
  <subjects>
    <subject>DFTB</subject>
    <subject>1,4-bis(phenylethynyl)-2,5-bis(ethoxy)benzene (PEEB)</subject>
    <subject>STM</subject>
    <subject>High-Throughput</subject>
    <subject>Meta-Structures</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2022-01-12</date>
  </dates>
  <resourceType resourceTypeGeneral="Dataset"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://rodare.hzdr.de/record/1375</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsReferencedBy">https://www.hzdr.de/publications/Publ-32816</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsIdenticalTo">https://www.hzdr.de/publications/Publ-33955</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.14278/rodare.1374</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsPartOf">https://rodare.hzdr.de/communities/rodare</relatedIdentifier>
  </relatedIdentifiers>
  <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;Bei diesem Datensatz handelt es sich um die Grundzustandsstruktur von PEEB auf Au(111) und die Inputdatei f&amp;uuml;r DFTB+.&lt;/p&gt;</description>
  </descriptions>
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