Abstract
The redox potentials of 2-methylbenzoquinone and 2,5-dimethylbenzoquinone have been calculated theoretically to within about 25 mV of the experimental value using a combination of ab initio calculations and molecular dynamics simulations.
| Original language | English |
|---|---|
| Pages (from-to) | 1434-1436 |
| Number of pages | 3 |
| Journal | Journal of the Chemical Society, Chemical Communications |
| Issue number | 21 |
| DOIs | |
| Publication status | Published - 1988 |
| Externally published | Yes |
Fingerprint Dive into the research topics of 'Accurate redox potentials from theoretical calculations: Methyl-substituted benzoquinones'. Together they form a unique fingerprint.
Cite this
Reynolds, C. A., King, P. M., & Richards, W. G. (1988). Accurate redox potentials from theoretical calculations: Methyl-substituted benzoquinones. Journal of the Chemical Society, Chemical Communications, (21), 1434-1436. https://doi.org/10.1039/C39880001434