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

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{
  "title": "Data publication: Simulation results on Aminophenyl Viologen", 
  "author": [
    {
      "family": "Mitrofanov, Andrei"
    }, 
    {
      "family": "Dreimann, Oliver"
    }, 
    {
      "family": "Zakirova, Karina"
    }, 
    {
      "family": "Waentig, Albrecht L."
    }, 
    {
      "family": "Wrzesi\u0144ska-Lashkova, Angelika"
    }, 
    {
      "family": "Kuc, Agnieszka Beata"
    }, 
    {
      "family": "Ruck, Michael"
    }, 
    {
      "family": "Vaynzof, Yana"
    }, 
    {
      "family": "Feng, Xinliang"
    }, 
    {
      "family": "Voit, Brigitte"
    }
  ], 
  "id": "3198", 
  "type": "dataset", 
  "DOI": "10.14278/rodare.3198", 
  "publisher": "Rodare", 
  "issued": {
    "date-parts": [
      [
        2024, 
        7, 
        26
      ]
    ]
  }, 
  "abstract": "<p>Structural and electronic properties simulated using DFT/PBE level of theory with TS dispersion correction as implemented in FHI-Aims code.</p>"
}