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Updated: May 14, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
Heat capacities of mass selected deprotonated water clusters
Sébastien Zamith1, Pierre Labastie, Jean-Marc L'Hermite
1Université de Toulouse, UPS, Laboratoire Collisions Agrégats Réactivité, IRSAMC, F-31062 Toulouse, France and CNRS, UMR 5589, F-31062 Toulouse, France.
Abstract:
Heat capacities of mass selected deprotonated water clusters (H(2)O)(n-1)OH(-) have been measured in the size range n = 48-118, as a function of temperature. We have found that they undergo a melting-like transition in the range 110-130 K. The transition temperature is size dependent with a strong correlation with the dissociation energy around the shell closure at n = 55.
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