Fig. 5

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Screenshot of three-dimensional (3D) molecule viewer embedded in LIDA using the JSmol package. The viewer is connected to external public databases of molecule structures and can be viewed using the searching bar below the molecules. A few dedicated controls can be used to move and animate the molecule. The calculated vibrational modes can be listed and animated using the green button. As proof of concept, the yellow arrows indicate the vibrational motion of the water bending mode seen at 1643 cm−1 in Fig. 3. Buttons for making a movie and downloading the image file in PNG format are also provided.
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