First-principles simulations of the relaxation and electron solvation dynamics of iodide-polar solve

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户:cwfml9
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Photoexcitation of iodide-polar solvent molecule clusters results in the transfer of an electron from an iodide localised orbital to a diffuse solvent cluster localised orbital,followed by extensive relaxation processes that are closely related to the electron solvation processes occurring in bulk polar liquids.
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