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Computational chemistry

Dances with hydrogen cations

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Life depends on the flow of hydrogen cations in water, yet their dynamic behaviour when in complex with water molecules is unknown. The latest computer simulations cast light on the jiggling of these hydrated ions.

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Figure 1: The Zundel cation and its vibrations.

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Xantheas, S. Dances with hydrogen cations. Nature 457, 673–674 (2009). https://doi.org/10.1038/457673a

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