November 4, 2021 Dataset Open Access

Wöhner, Kevin; Wulf, Toshiki; Vankova, Nina; Heine, Thomas

DataCite XML Export

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  <identifier identifierType="DOI">10.14278/rodare.1242</identifier>
  <creators>
    <creator>
      <creatorName>Wöhner, Kevin</creatorName>
      <givenName>Kevin</givenName>
      <familyName>Wöhner</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0003-0293-8337</nameIdentifier>
    </creator>
    <creator>
      <creatorName>Wulf, Toshiki</creatorName>
      <givenName>Toshiki</givenName>
      <familyName>Wulf</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-6331-6596</nameIdentifier>
    </creator>
    <creator>
      <creatorName>Vankova, Nina</creatorName>
      <givenName>Nina</givenName>
      <familyName>Vankova</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-1523-3021</nameIdentifier>
      <affiliation>Faculty of Chemistry and Food Chemistry, School of Science, TU Dresden, 01062 Dresden, Germany</affiliation>
    </creator>
    <creator>
      <creatorName>Heine, Thomas</creatorName>
      <givenName>Thomas</givenName>
      <familyName>Heine</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0003-2379-6251</nameIdentifier>
    </creator>
  </creators>
  <titles>
    <title>Data publication: Strong Binding of Noble Gases to [B₁₂X₁₁]⁻: a theoretical study</title>
  </titles>
  <publisher>Rodare</publisher>
  <publicationYear>2021</publicationYear>
  <subjects>
    <subject>Boron</subject>
    <subject>Anions</subject>
    <subject>Complexation</subject>
    <subject>Cluster chemistry</subject>
    <subject>Group 17 compounds</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2021-11-04</date>
  </dates>
  <resourceType resourceTypeGeneral="Dataset"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://rodare.hzdr.de/record/1242</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsReferencedBy">https://www.hzdr.de/publications/Publ-32852</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsIdenticalTo">https://www.hzdr.de/publications/Publ-33348</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.14278/rodare.1241</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;This dataset contains output files of DFT and DLPNO calculations of the investigated species. At the DFT level of theory full geometry optimizations and frequency analysis where done. At DLPNO level of theory single point calculations were done.&lt;/p&gt;</description>
  </descriptions>
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