July 26, 2024 Dataset Open Access

Mitrofanov, Andrei; Dreimann, Oliver; Zakirova, Karina; Waentig, Albrecht L.; Wrzesińska-Lashkova, Angelika; Kuc, Agnieszka Beata; Ruck, Michael; Vaynzof, Yana; Feng, Xinliang; Voit, Brigitte

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  "license": "https://creativecommons.org/licenses/by/4.0/legalcode", 
  "name": "Data publication: Simulation results on Aminophenyl Viologen", 
  "@id": "https://doi.org/10.14278/rodare.3198", 
  "datePublished": "2024-07-26", 
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  "identifier": "https://doi.org/10.14278/rodare.3198", 
  "description": "<p>Structural and electronic properties simulated using DFT/PBE level of theory with TS dispersion correction as implemented in FHI-Aims code.</p>", 
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