Electron and ion transfer reactions on metal electrodes are considered in an extended Anderson model, in which the interactions of the reactant with the metal and with the solvent depend on the separation from the interface. The model allows the construction of effective potential energy surfaces. E
β¦ LIBER β¦
A model for combined electron and proton transfer in electrochemical systems
β Scribed by J. Grimminger; S. Bartenschlager; W. Schmickler
- Book ID
- 118435319
- Publisher
- Elsevier Science
- Year
- 2005
- Tongue
- English
- Weight
- 194 KB
- Volume
- 416
- Category
- Article
- ISSN
- 0009-2614
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## Abstract A computational scheme based on a βmixed basis setβ approach is applied to the study of the structure and the energetics in proton transfer systems. Five hydrogenβbonded systems of the type (CH~3~H~n~A β₯ H β₯ BH~m~CH~3~)^+^, where A and B can be N, O, or S, have been investigated with va