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   <dc:identifier>https://dx.doi.org/10.35097/bkb38p6juhxffxhp</dc:identifier>
   <dc:creator>Savintseva, Liana</dc:creator>
   <dc:creator>Neugebauer, Paul</dc:creator>
   <dc:title>The electrochemical Shono oxidation of N-formylpyrrolidin: Mechanistic insights from the computational ferrocene electrode model and cyclic voltammetry: SI</dc:title>
   <dc:publisher>Karlsruhe Institute of Technology</dc:publisher>
   <dc:date>2025</dc:date>
   <dc:subject>Engineering</dc:subject>
   <dc:type>dataset</dc:type>
   <dc:subject>Dataset</dc:subject>
   <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
   <dc:rights>https://creativecommons.org/licenses/by-nc/4.0/legalcode</dc:rights>
   <dc:contributor>Sharapa, Dmitry I.</dc:contributor>
   <dc:contributor>Studt, Felix</dc:contributor>
   <dc:contributor>Röse, Philipp</dc:contributor>
   <dc:contributor>Krewer, Ulrike</dc:contributor>
   <dc:description>Optimized geometries of molecules and complexes, &#xD;
example of ORCA-input file,&#xD;
detailed experimental data and description of experimental setup.</dc:description>
   <dc:subject>Computational Ferrocene Electrode&#xD;
Cyclic Voltammetry&#xD;
DFT&#xD;
Marcus-Hush Theory&#xD;
N-formylpyrrolidine&#xD;
Shono Oxidation</dc:subject>
   <dc:contributor>Sharapa, Dmitry I.</dc:contributor>
   <dc:contributor>Studt, Felix</dc:contributor>
   <dc:contributor>Röse, Philipp</dc:contributor>
   <dc:contributor>Krewer, Ulrike</dc:contributor>
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