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There is a typo in the Material and Methods section.

In the material and methods section, I have written "Zero point (ZPE) and thermal effects (T = 298.15 K, P = 1 bar) were evaluated using a scaling factor of 0.9804 for the computed frequencies" instead of the correct:

"Zero point (ZPE) and thermal effects (T = 298.15 K, P = 1 bar) were evaluated using a scaling factor of 0.9857 for the computed frequencies"

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