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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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2025-06-01
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| Series: | Photochem |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2673-7256/5/2/15 |
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