January 17, 2026 Dataset Open Access

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

Dublin Core Export

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  <dc:creator>Lokamani, Mani</dc:creator>
  <dc:creator>Kilibarda, Filip</dc:creator>
  <dc:creator>Günther, Florian</dc:creator>
  <dc:creator>Kelling, Jeffrey</dc:creator>
  <dc:creator>Strobel, Alexander</dc:creator>
  <dc:creator>Zahn, Peter</dc:creator>
  <dc:creator>Juckeland, Guido</dc:creator>
  <dc:creator>Gothelf, Kurt</dc:creator>
  <dc:creator>Scheer, Elke</dc:creator>
  <dc:creator>Gemming, Sibylle</dc:creator>
  <dc:creator>Erbe, Artur</dc:creator>
  <dc:date>2026-01-17</dc:date>
  <dc:description>Configurations and Input files for DFTB simulations</dc:description>
  <dc:identifier>https://rodare.hzdr.de/record/4433</dc:identifier>
  <dc:identifier>10.14278/rodare.4433</dc:identifier>
  <dc:identifier>oai:rodare.hzdr.de:4433</dc:identifier>
  <dc:relation>doi:10.17815/jlsrf-3-159</dc:relation>
  <dc:relation>url:https://www.hzdr.de/publications/Publ-42784</dc:relation>
  <dc:relation>url:https://www.hzdr.de/publications/Publ-41509</dc:relation>
  <dc:relation>doi:10.14278/rodare.4432</dc:relation>
  <dc:relation>url:https://rodare.hzdr.de/communities/fwi</dc:relation>
  <dc:relation>url:https://rodare.hzdr.de/communities/ibc</dc:relation>
  <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
  <dc:title>Data publication: Static and dynamic simulation approach using density-functional tight-binding in molecular electronics</dc:title>
  <dc:type>info:eu-repo/semantics/other</dc:type>
  <dc:type>dataset</dc:type>
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