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. 2024 May 10;20(10):4265–4277. doi: 10.1021/acs.jctc.4c00106

Figure 9.

Figure 9

TD-DFT spectra of the n = 200 hydrated electron cluster with different OH bond scaling factors applied for the selected QCMD configurations. Red: f = 0.9, green: f = 0.95, black solid: f = 1.00, blue: f = 1.05, cyan: f = 1.1, and black dashed: quantized configurations. The spectra are normalized to unity at their maxima.