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Updated: Jan 16, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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电子密度再分配作为激发状态反应活性的描述器

Cristian J Guerra1

  • 1Facultad de Ciencias Exactas, Departamento de Ciencias Químicas, Laboratorio de Síntesis y Reactividad de Compuestos Orgánicos, Universidad Andrés Bello, República 275, Santiago 8370146, Chile.

The journal of physical chemistry. A
|September 25, 2025
PubMed
概括

本研究介绍了电子再分配函数,用于分析光化学反应中的兴奋状态反应性. 这种方法通过量化电子密度变化来识别反应性位点,有助于理解光产物形成.

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