July 26, 2024 Dataset Open Access

Mitrofanov, Andrei; Dreimann, Oliver; Zakirova, Karina; Waentig, Albrecht L.; Wrzesińska-Lashkova, Angelika; Kuc, Agnieszka Beata; Ruck, Michael; Vaynzof, Yana; Feng, Xinliang; Voit, Brigitte

JSON-LD (schema.org) Export

{
  "url": "https://rodare.hzdr.de/record/3198", 
  "distribution": [
    {
      "@type": "DataDownload", 
      "contentUrl": "https://rodare.hzdr.de/api/files/4783a583-9e94-47bc-8b2e-b6a2fb49eaca/Nomad_files.zip", 
      "fileFormat": "zip"
    }
  ], 
  "sameAs": [
    "https://www.hzdr.de/publications/Publ-39743"
  ], 
  "identifier": "https://doi.org/10.14278/rodare.3198", 
  "description": "<p>Structural and electronic properties simulated using DFT/PBE level of theory with TS dispersion correction as implemented in FHI-Aims code.</p>", 
  "@id": "https://doi.org/10.14278/rodare.3198", 
  "@context": "https://schema.org/", 
  "creator": [
    {
      "@type": "Person", 
      "name": "Mitrofanov, Andrei", 
      "affiliation": "TUD"
    }, 
    {
      "@type": "Person", 
      "name": "Dreimann, Oliver"
    }, 
    {
      "@type": "Person", 
      "name": "Zakirova, Karina"
    }, 
    {
      "@type": "Person", 
      "name": "Waentig, Albrecht L."
    }, 
    {
      "@type": "Person", 
      "name": "Wrzesi\u0144ska-Lashkova, Angelika"
    }, 
    {
      "@type": "Person", 
      "name": "Kuc, Agnieszka Beata", 
      "affiliation": "HZDR", 
      "@id": "https://orcid.org/0000-0002-9458-4136"
    }, 
    {
      "@type": "Person", 
      "name": "Ruck, Michael"
    }, 
    {
      "@type": "Person", 
      "name": "Vaynzof, Yana"
    }, 
    {
      "@type": "Person", 
      "name": "Feng, Xinliang", 
      "affiliation": "TUD"
    }, 
    {
      "@type": "Person", 
      "name": "Voit, Brigitte", 
      "affiliation": "TUD"
    }
  ], 
  "name": "Data publication: Simulation results on Aminophenyl Viologen", 
  "datePublished": "2024-07-26", 
  "@type": "Dataset", 
  "license": "https://creativecommons.org/licenses/by/4.0/legalcode"
}