相关实验视频

Updated: Jul 21, 2025

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

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使用Solvatochromic效应和密度函数理论的梅特福林化物的地面和兴奋状态双极时刻

Semahegn Asemare1, Abebe Belay2, Alemu Kebede3

  • 1Department of Applied Physics, School of Applied Natural Sciences, Adama Science and Technology University, PO Box 1888, Adama, Ethiopia. semahegnasemare4@gmail.com.

Journal of fluorescence
|July 28, 2023
PubMed
概括

这项研究使用各种模型和计算方法确定了甲福胺的基态和激发状态二极极时刻. 结果显示,由于溶剂极性效应,激发状态的二极极矩比基本状态大.

关键词:
在 DFT 方面,它是最重要的.双极运动时刻是双极运动时刻.一个兴奋的状态.甲福林化甲福林化索尔瓦托克罗米的效果.

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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

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