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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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扩展马库斯图像用于具有大溶解变化的电子转移反应

Rodolphe Vuilleumier1, Kafui A Tay, Guillaume Jeanmairet

  • 1Ecole Normale Supérieure, Département de Chimie, UMR 8640 ENS-CNRS-UPMC, 24 Rue Lhomond, 75005 Paris, France.

Journal of the American Chemical Society
|December 14, 2011
PubMed
概括

标准马库斯理论对于具有不同溶度状态的电荷转移反应失败. 新的扩展,使用双高斯或非高斯溶解,准确地模拟这些复杂的反应,包括金属离子氧化还原对.

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