Abstract
The nonadiabatic proton-coupled electron transfer (PCET) reactions in solutions are formulated based on a multistate continuum theory. The reactions are described as the transition between two sets of adiabatic free energy surfaces in relation with the two electron transfer states. The formula defines the reorganization energies, equilibrium free energy differences and couplings in terms of the two-dimensional free energy surfaces.
Original language | English (US) |
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Pages (from-to) | 2385-2396 |
Number of pages | 12 |
Journal | Journal of Chemical Physics |
Volume | 113 |
Issue number | 6 |
DOIs | |
State | Published - Aug 2000 |
Externally published | Yes |
All Science Journal Classification (ASJC) codes
- General Physics and Astronomy
- Physical and Theoretical Chemistry