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- Title
Elementary electron transfer reactions: from basic concepts to recent computational advances.
- Authors
Borrelli, Raffaele; Peluso, Andrea
- Abstract
The basic chemicophysical concepts and the most recent developments in the dynamics of the elementary electron transfer reactions are reviewed, posing particular attention to discrete state approaches, which combine use of a few experimental data with reliable ab initio calculations of the equilibrium nuclear configurations and normal coordinates of vibration of the redox partners. WIREs Comput Mol Sci 2013, 3:542-559. doi: 10.1002/wcms.1147 For further resources related to this article, please visit the WIREs website.
- Subjects
OXIDATION-reduction reaction; COMPUTATIONAL chemistry; EQUILIBRIUM reactions; VIBRATION (Mechanics); EXPERIMENTAL design; AB initio quantum chemistry methods
- Publication
WIREs: Computational Molecular Science, 2013, Vol 3, Issue 6, p542
- ISSN
1759-0876
- Publication type
Article
- DOI
10.1002/wcms.1147