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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Publication date:
July 26, 2024
DOI:
10.14278/rodare.3198

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10.14278/rodare.3198

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https://www.hzdr.de/publications/Publ-39743
Referenced by:
10.1021/acs.inorgchem.4c01711, https://www.hzdr.de/publications/Publ-39027
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