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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التفاصيل البيبلوغرافية

الحاوية / القاعدة:	Frontiers in Physics
المؤلفون الرئيسيون:	Xinxing Li, Xiuping Yin, Yue-Ling Bai, Malgorzata Biczysko
التنسيق:	مقال
اللغة:	الإنجليزية
منشور في:	Frontiers Media S.A. 2023-08-01
الموضوعات:	fluorescence density functional theory Franck–Condon approximation electronic spectra optical properties
الوصول للمادة أونلاين:	https://www.frontiersin.org/articles/10.3389/fphy.2023.1236987/full