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Data publication: Static and dynamic simulation approach using density-functional tight-binding in molecular electronics

Lokamani, Mani; Kilibarda, Filip; Günther, Florian; Kelling, Jeffrey; Strobel, Alexander; Zahn, Peter; Juckeland, Guido; Gothelf, Kurt; Scheer, Elke; Gemming, Sibylle; Erbe, Artur

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{
  "author": [
    {
      "family": "Lokamani, Mani"
    }, 
    {
      "family": "Kilibarda, Filip"
    }, 
    {
      "family": "G\u00fcnther, Florian"
    }, 
    {
      "family": "Kelling, Jeffrey"
    }, 
    {
      "family": "Strobel, Alexander"
    }, 
    {
      "family": "Zahn, Peter"
    }, 
    {
      "family": "Juckeland, Guido"
    }, 
    {
      "family": "Gothelf, Kurt"
    }, 
    {
      "family": "Scheer, Elke"
    }, 
    {
      "family": "Gemming, Sibylle"
    }, 
    {
      "family": "Erbe, Artur"
    }
  ], 
  "id": "4433", 
  "abstract": "<p>Configurations and Input files for DFTB simulations</p>", 
  "title": "Data publication: Static and dynamic simulation approach using density-functional tight-binding in molecular electronics", 
  "issued": {
    "date-parts": [
      [
        2026, 
        1, 
        17
      ]
    ]
  }, 
  "publisher": "Rodare", 
  "type": "dataset", 
  "DOI": "10.14278/rodare.4433"
}
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Publication date:
January 17, 2026
DOI:
10.14278/rodare.4433

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10.14278/rodare.4433

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Related identifiers:
Cites:
10.17815/jlsrf-3-159
Identical to:
https://www.hzdr.de/publications/Publ-42784
Referenced by:
https://www.hzdr.de/publications/Publ-41509
Communities:
License (for files):
Creative Commons Attribution 4.0 International

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Version 1 10.14278/rodare.4433 Jan 17, 2026
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