Interpretation and prediction of optical properties: novel fluorescent dyes as a test case

Interpretation and prediction of optical properties: novel fluorescent dyes as a test case

The rapid development of modern quantum mechanical theories and computational resources facilitates extended characterization of molecular systems of increasing size and complexity, including chromophores of biochemical or technological interest. Efficient and accurate computations of molecular stru...

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Bibliographic Details
Main Authors: Xinxing Li, Xiuping Yin, Yue-Ling Bai, Malgorzata Biczysko
Format: Article
Language:English
Published: Frontiers Media S.A. 2023-08-01
Series:Frontiers in Physics
Subjects:
fluorescence
density functional theory
Franck–Condon approximation
electronic spectra
optical properties
Online Access:https://www.frontiersin.org/articles/10.3389/fphy.2023.1236987/full

Internet

https://www.frontiersin.org/articles/10.3389/fphy.2023.1236987/full

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