Abstract
The solvent force constants k characterizing the fluctuations of a polar solvent in the presence of a solute ion pair A+B- and a neutral pair AB are determined by molecular dynamics simulation. The origin of the observed difference in the k values and the consequences for electron-transfer rate-reaction free energy gap behavior are discussed.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 2184-2187 |
| Number of pages | 4 |
| Journal | Journal of physical chemistry |
| Volume | 93 |
| Issue number | 6 |
| DOIs | |
| State | Published - 1989 |
| Externally published | Yes |
All Science Journal Classification (ASJC) codes
- General Engineering
- Physical and Theoretical Chemistry
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