Computational Data of Wash-Free Bioimaging Review

The electronic structures and excited-state properties were derived using computational data obtained from density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations. All computational studies were conducted using Gaussian 16 software. The results, as discussed in the review paper, were employed to analyze the mechanistic aspects of fluorescence quenching in relevant systems. The computational methods have been highlighted in the corresponding figures, and details are provided in the figure captions to ensure clarity and reproducibility.