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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{
  "creator": [
    {
      "name": "Kloditz, Roger", 
      "@id": "https://orcid.org/0000-0002-2417-2670", 
      "affiliation": "HZDR", 
      "@type": "Person"
    }, 
    {
      "name": "Fichter, Sebastian", 
      "@id": "https://orcid.org/0000-0002-0723-7778", 
      "affiliation": "HZDR", 
      "@type": "Person"
    }, 
    {
      "name": "Kaufmann, Sebastian", 
      "affiliation": "KIT", 
      "@type": "Person"
    }, 
    {
      "name": "Brunner, Tobias S.", 
      "affiliation": "KIT", 
      "@type": "Person"
    }, 
    {
      "name": "Kaden, Peter", 
      "@id": "https://orcid.org/0000-0002-9414-2936", 
      "affiliation": "HZDR", 
      "@type": "Person"
    }, 
    {
      "name": "Patzschke, Michael", 
      "@id": "https://orcid.org/0000-0003-3125-1278", 
      "affiliation": "HZDR", 
      "@type": "Person"
    }, 
    {
      "name": "Stumpf, Thorsten", 
      "affiliation": "KIT", 
      "@type": "Person"
    }, 
    {
      "name": "Roesky, Peter W.", 
      "@id": "https://orcid.org/0000-0002-0915-3893", 
      "affiliation": "KIT", 
      "@type": "Person"
    }, 
    {
      "name": "Schmidt, Moritz", 
      "@id": "https://orcid.org/0000-0002-8419-0811", 
      "affiliation": "HZDR", 
      "@type": "Person"
    }, 
    {
      "name": "M\u00e4rz, Juliane", 
      "@id": "https://orcid.org/0000-0003-4960-3745", 
      "affiliation": "HZDR", 
      "@type": "Person"
    }
  ], 
  "url": "https://rodare.hzdr.de/record/518", 
  "description": "<p>NMR spectra for the complex series in the publication together with the xyz coordinates of the optimized complexes. An&nbsp;example input-file for ORCA v4.1.2 for the calculation of the wavefunction used for QTAIM is presented as well.</p>", 
  "inLanguage": {
    "name": "English", 
    "alternateName": "eng", 
    "@type": "Language"
  }, 
  "identifier": "https://doi.org/10.14278/rodare.518", 
  "@id": "https://doi.org/10.14278/rodare.518", 
  "datePublished": "2020-09-17", 
  "@type": "Dataset", 
  "@context": "https://schema.org/", 
  "keywords": [
    "actinides", 
    "NMR", 
    "DFT", 
    "QTAIM", 
    "NPA", 
    "coordination chemistry", 
    "transuranium"
  ], 
  "sameAs": [
    "https://www.hzdr.de/publications/Publ-31654"
  ], 
  "name": "Series of Tetravalent Actinide Amidinates: Structure Determination and Bonding Analysis."
}