Zero-point energy effects on the stability of water clusters: Implications on the uptake of hydrogen isotope substituted water on ice and clathrate hydrate phases

To study the effect of hydrogen isotope substitution on the uptake of water during formation of clathrate hydrates, the harmonic intermolecular librational modes of selected water clusters (X2O)n with n = 2–6 and hydrogen isotopes X = H, D, and T are studied. The effects of the quantum mechanical ze...

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Bibliographic Details
Main Authors: Ryo Ohmura, Saman Alavi
Format: Article
Language:English
Published: AIP Publishing LLC 2024-03-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/5.0186940