Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5379419 | Chemical Physics Letters | 2016 | 6 Pages |
Abstract
â¿¢Explicit solvent effects on the excited-state electron-transfer rate constants are presented.â¿¢Difference between protic and aprotic solvents are shown in detail.â¿¢Hydrogen bond between solvent and solute causes enhancement of excited-state electron-transfer rate.â¿¢Combined density functional and classical molecular dynamics simulation results are demonstrated.â¿¢Excited-state electron-transfer rates are evaluated on the basis of a Marcus theory.
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Authors
Shintaro Maekawa, Ryuma Sato, Kimihiko Hirao, Yasuteru Shigeta,