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Self-consistent reaction field calculation of solvent reorganization energy in electron transfer: a dipole-reaction field interaction model

✍ Scribed by Xiang-Yuan Li; Lin-Lin Zhao; Shun-Qing Xiao


Publisher
Springer
Year
2000
Tongue
English
Weight
178 KB
Volume
105
Category
Article
ISSN
1432-2234

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A detailed study of the type and extent of electronic reorganization created by macroscopic solvation of a prototypical carbonyl solute is carried out within the framework of the semiempirical multiconfiguration self-consistent reaction-field model. The solvation causes additional polarization of th