Theoretical calculations of benzoquinone redox potentials using the COSMO continuum solvation model
- 1 January 1993
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Chemical Communications
- No. 23,p. 1743-1744
- https://doi.org/10.1039/c39930001743
Abstract
Relative redox potentials for substituted benzoquinones are calculated to an accuracy of ≃50 mV at the AM1 or PM3 level using the COSMO continuum solvation model.Keywords
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