Dataset Open Access
Data publication: Simulation results on Aminophenyl Viologen
Mitrofanov, Andrei;
Dreimann, Oliver;
Zakirova, Karina;
Waentig, Albrecht L.;
Wrzesińska-Lashkova, Angelika;
Kuc, Agnieszka Beata;
Ruck, Michael;
Vaynzof, Yana;
Feng, Xinliang;
Voit, Brigitte
Structural and electronic properties simulated using DFT/PBE level of theory with TS dispersion correction as implemented in FHI-Aims code.
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(274.3 MB)
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|---|---|---|
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Nomad_files.zip
md5:cd46b6b210e928833c1b16c69b8e80f0 |
274.3 MB | Download |
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| All versions | This version | |
|---|---|---|
| Views | 347 | 347 |
| Downloads | 10 | 10 |
| Data volume | 2.7 GB | 2.7 GB |
| Unique views | 316 | 316 |
| Unique downloads | 10 | 10 |
- Publication date:
- July 26, 2024
- DOI:
-
- Related identifiers:
- Identical to:
https://www.hzdr.de/publications/Publ-39743 - Referenced by:
10.1021/acs.inorgchem.4c01711, https://www.hzdr.de/publications/Publ-39027 - Communities:
- License (for files):
- Creative Commons Attribution 4.0 International
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Cite as
Mitrofanov, Andrei, Dreimann, Oliver, Zakirova, Karina, Waentig, Albrecht L., Wrzesińska-Lashkova, Angelika, Kuc, Agnieszka Beata, … Voit, Brigitte. (2024). Data publication: Simulation results on Aminophenyl Viologen [Data set]. Rodare. http://doi.org/10.14278/rodare.3198
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