Dataset Open Access

Data publication: Describing chain-like assembly of ethoxygroup-functionalized organic molecules on Au(111) using high-throughput simulations

Lokamani, Mani; Kelling, Jeffrey; Ohmann, Robin; Meyer, Jörg; Kühne, Tim; Cuniberti, Gianaurello; Wolf, Jannic; Juckeland, Guido; Huhn, Thomas; Zahn, Peter; Moresco, Francesca; Gemming, Sibylle

Bei diesem Datensatz handelt es sich um die Grundzustandsstruktur von PEEB auf Au(111) und die Inputdatei für DFTB+.

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Publication date:
January 12, 2022
DOI:
10.14278/rodare.1375

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10.14278/rodare.1375

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Keyword(s):
DFTB 1,4-bis(phenylethynyl)-2,5-bis(ethoxy)benzene (PEEB) STM High-Throughput Meta-Structures
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Identical to:
https://www.hzdr.de/publications/Publ-33955
Referenced by:
https://www.hzdr.de/publications/Publ-32816
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License (for files):
Creative Commons Attribution 4.0 International

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