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Polarizable Solute in Polarizable and Flexible Solvents: Simulation Study of Electron Transfer Reaction Systems

โœ Scribed by Ishida, Tateki

Book ID
115440639
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
191 KB
Volume
109
Category
Article
ISSN
0022-3654

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๐Ÿ“œ SIMILAR VOLUMES

Monte Carlo simulation study on energy-g
Monte Carlo simulation study on energy-gap dependence of electron-transfer reactions in polar solution: Effect of electronic polarizability of solvent
โœ Yoshitaka Enomoto; Toshiaki Kakitani; Akira Yoshimori; Yasuyo Hatano ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 444 KB

We conducted Monte Carlo simulations of polar solutions by explicitly treating the effect of electronic polarizability of solvent molecules. Based on these data, we calculated the energy-gap dependence of electron-transfer rates. It was found that a considerable asymmetry of the energy-gap dependenc