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Computational-Chemistry-Based Prediction of Near-Infrared Rhodamine Fluorescence Peaks with Sub-12 nm Accuracy

Near-infrared (NIR) rhodamine dyes are pivotal for bioimaging due to the minimal tissue interference. Yet, their rational design is hindered by unreliable computational methods for excited-state property prediction. We benchmarked the time-dependent density functional theory (TDDFT) with the linear-...

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Ngā kaituhi matua: Qinlin Yuan, Hanwei Wang, Pingping Sun, Chaoyuan Zeng, Weijie Chi
Hōputu: Artigo
Reo:Inglês
I whakaputaina: MDPI AG 2025-06-01
Rangatū:Photochem
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Urunga tuihono:https://www.mdpi.com/2673-7256/5/2/15
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