September 16, 2021 Dataset Open Access

Wulf, Toshiki

DataCite XML Export

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  <identifier identifierType="DOI">10.14278/rodare.1208</identifier>
  <creators>
    <creator>
      <creatorName>Wulf, Toshiki</creatorName>
      <givenName>Toshiki</givenName>
      <familyName>Wulf</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-6331-6596</nameIdentifier>
      <affiliation>Helmholtz-Zentrum Dresden-Rossendorf</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Data publication: B₁₂X₁₁(H₂)⁻: Exploring the limits of isotopologue selectivity of hydrogen adsorption</title>
  </titles>
  <publisher>Rodare</publisher>
  <publicationYear>2021</publicationYear>
  <subjects>
    <subject>hydrogen adsorption,closo-dodecaborates,hydrogen isotopes,boron clusters</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2021-09-16</date>
  </dates>
  <language>en</language>
  <resourceType resourceTypeGeneral="Dataset"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://rodare.hzdr.de/record/1208</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsSupplementTo">10.1039/d1ra06322g</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsReferencedBy">10.1039/D1RA06322G</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsPartOf">https://www.hzdr.de/publications/Publ-33197</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsIdenticalTo">https://www.hzdr.de/publications/Publ-33253</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsReferencedBy">https://www.hzdr.de/publications/Publ-33092</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.14278/rodare.1207</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;Sample ORCA 4.2.1 input files (TXT);&lt;br&gt;
atomic coordinates and NEB paths (XYZ);&lt;br&gt;
vibration files (7-column XYZ)&lt;/p&gt;

&lt;p&gt;for publication&lt;/p&gt;

&lt;p&gt;T. Wulf, J. Warneke, T. Heine: &lt;em&gt;B₁₂X₁₁(H₂)⁻: exploring the limits of isotopologue selectivity of hydrogen adsorption&lt;/em&gt;. RSC Advances, 11:46 (&lt;strong&gt;2021&lt;/strong&gt;), 28466&amp;ndash;28475, doi:10.1039/d1ra06322g&lt;/p&gt;</description>
  </descriptions>
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