Fig. 3

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Screenshot of spectrum visualization window showing IR spectrum of H2O ice at different temperatures given by the color-code. The annotations of the water vibrational modes are shown in green. They can be hidden by clicking on the yellow toggle below the plot. It also describes the annotation color-code; green means the vibrational mode is calculated, and black indicates the vibrational mode is not calculated. The hover set at the position around 3000 cm−1 displays the information of the spectral data point, such as the wave number in cm−1 (bottom X-axis), wavelength in µm (top X-axis), and absorbance (Y-axis). The toolbar is placed on the right side of the plot.
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