Dataset Open Access

Data publication: Insights into the Electronic Structure of a U(IV) Amido and U(V) Imido Complex

Köhler, Luisa; Patzschke, Michael; Bauters, Stephen; Vitova, Tonya; Butorin, Sergei M.; Kvashnina, Kristina O.; Schmidt, Moritz; Stumpf, Thorsten; März, Juliane


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Köhler, Luisa, Patzschke, Michael, Bauters, Stephen, Vitova, Tonya, Butorin, Sergei M., Kvashnina, Kristina O., … März, Juliane. (2022). Data publication: Insights into the Electronic Structure of a U(IV) Amido and U(V) Imido Complex [Data set]. Rodare. http://doi.org/10.14278/rodare.1482

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