Explicit and Hybrid Solvent Models for Estimates of Parameters Relevant to the Reduction Potential of Ethylene Carbonate
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DOI: 10.3390/ijms232415590
Abstract: Using ethylene carbonate as a sample solvent, we investigated two molecular parameters used to estimate the reduction potential of the solvent: electron affinity, and the energy of the lowest unoccupied molecular orbital (LUMO). The results… read more here.
Keywords: ethylene carbonate; solvent; solvent models; hybrid solvent ... See more keywords