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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<dct:title>Data publication: Simulation results on Aminophenyl Viologen</dct:title>
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<dct:description><p>Structural and electronic properties simulated using DFT/PBE level of theory with TS dispersion correction as implemented in FHI-Aims code.</p></dct:description>
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