A free energy barrier AF+ = 174.2 kJ/mol for the self-exchange electron transfer reaction model Fe+/Fe2+ in water has been calculated by combining Monte Carlo simulations and the statistical perturbation theory. We have shown that, even for those electron transfer reactions that present a very high
✦ LIBER ✦
Kinetics of the direct energy transfer of optical excitation in crystalline nanoparticles: Theory and Monte Carlo computer simulation
✍ Scribed by N. A. Glushkov; T. T. Basiev; Yu. V. Orlovskii
- Book ID
- 111473079
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 2009
- Tongue
- English
- Weight
- 351 KB
- Volume
- 4
- Category
- Article
- ISSN
- 1995-0780
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
A Monte Carlo simulation of free energy
✍
Angels González-Lafont; José M. Lluch; Antonio Oliva; Juan Bertrán
📂
Article
📅
1991
🏛
John Wiley and Sons
🌐
English
⚖ 555 KB
Monte Carlo simulation of the diabatic f
✍
Victor Pérez; José M. Lluch; Juan Bertrán
📂
Article
📅
1992
🏛
John Wiley and Sons
🌐
English
⚖ 839 KB
In the present work we have carried out a Monte Carlo simulation of a dissociative electron transfer reaction in a polar solvent. In particular, we have chosen as a very simple model the electrochemical reduction of hydrogen fluoride to give a hydrogen atom and a fluoride anion in a dipolar solvent.