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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

Configurations and Input files for DFTB simulations

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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
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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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