Explicit and hybrid solvent models for estimates of parameters relevant to the reduction potential of ethylene carbonate

HIGHLIGHTS

• who: Andrzej Eilmes and colleagues from the Faculty of Chemistry, Jagiellonian University, Gronostajowa, Kraku00f3w, Poland have published the article: Explicit and Hybrid Solvent Models for Estimates of Parameters Relevant to the Reduction Potential of Ethylene Carbonate, in the Journal: (JOURNAL)
• what: The work was aimed at more systematic investigations concerning how the solvent parameters evolve with the increasing number of solvent molecules. In Figure 1 the authors show the averaged values of -EA and ELUMO plotted vs. the N -1/3. In Figure 5 the authors show an extreme example of an aggregate for which . . .
  

   

  

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