September 17, 2020 Dataset Closed Access

Kloditz, Roger; Fichter, Sebastian; Kaufmann, Sebastian; Brunner, Tobias S.; Kaden, Peter; Patzschke, Michael; Stumpf, Thorsten; Roesky, Peter W.; Schmidt, Moritz; März, Juliane

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  <identifier identifierType="DOI">10.14278/rodare.518</identifier>
  <creators>
    <creator>
      <creatorName>Kloditz, Roger</creatorName>
      <givenName>Roger</givenName>
      <familyName>Kloditz</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-2417-2670</nameIdentifier>
      <affiliation>HZDR</affiliation>
    </creator>
    <creator>
      <creatorName>Fichter, Sebastian</creatorName>
      <givenName>Sebastian</givenName>
      <familyName>Fichter</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-0723-7778</nameIdentifier>
      <affiliation>HZDR</affiliation>
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    <creator>
      <creatorName>Kaufmann, Sebastian</creatorName>
      <givenName>Sebastian</givenName>
      <familyName>Kaufmann</familyName>
      <affiliation>KIT</affiliation>
    </creator>
    <creator>
      <creatorName>Brunner, Tobias S.</creatorName>
      <givenName>Tobias S.</givenName>
      <familyName>Brunner</familyName>
      <affiliation>KIT</affiliation>
    </creator>
    <creator>
      <creatorName>Kaden, Peter</creatorName>
      <givenName>Peter</givenName>
      <familyName>Kaden</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-9414-2936</nameIdentifier>
      <affiliation>HZDR</affiliation>
    </creator>
    <creator>
      <creatorName>Patzschke, Michael</creatorName>
      <givenName>Michael</givenName>
      <familyName>Patzschke</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0003-3125-1278</nameIdentifier>
      <affiliation>HZDR</affiliation>
    </creator>
    <creator>
      <creatorName>Stumpf, Thorsten</creatorName>
      <givenName>Thorsten</givenName>
      <familyName>Stumpf</familyName>
      <affiliation>KIT</affiliation>
    </creator>
    <creator>
      <creatorName>Roesky, Peter W.</creatorName>
      <givenName>Peter W.</givenName>
      <familyName>Roesky</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-0915-3893</nameIdentifier>
      <affiliation>KIT</affiliation>
    </creator>
    <creator>
      <creatorName>Schmidt, Moritz</creatorName>
      <givenName>Moritz</givenName>
      <familyName>Schmidt</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-8419-0811</nameIdentifier>
      <affiliation>HZDR</affiliation>
    </creator>
    <creator>
      <creatorName>März, Juliane</creatorName>
      <givenName>Juliane</givenName>
      <familyName>März</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0003-4960-3745</nameIdentifier>
      <affiliation>HZDR</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Series of Tetravalent Actinide Amidinates: Structure Determination and Bonding Analysis.</title>
  </titles>
  <publisher>Rodare</publisher>
  <publicationYear>2020</publicationYear>
  <subjects>
    <subject>actinides</subject>
    <subject>NMR</subject>
    <subject>DFT</subject>
    <subject>QTAIM</subject>
    <subject>NPA</subject>
    <subject>coordination chemistry</subject>
    <subject>transuranium</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2020-09-17</date>
  </dates>
  <language>en</language>
  <resourceType resourceTypeGeneral="Dataset"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://rodare.hzdr.de/record/518</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsIdenticalTo">https://www.hzdr.de/publications/Publ-31654</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsReferencedBy">https://www.hzdr.de/publications/Publ-31531</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.14278/rodare.517</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsPartOf">https://rodare.hzdr.de/communities/rodare</relatedIdentifier>
  </relatedIdentifiers>
  <rightsList>
    <rights rightsURI="info:eu-repo/semantics/closedAccess">Closed Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;NMR spectra for the complex series in the publication together with the xyz coordinates of the optimized complexes. An&amp;nbsp;example input-file for ORCA v4.1.2 for the calculation of the wavefunction used for QTAIM is presented as well.&lt;/p&gt;</description>
  </descriptions>
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