Utilising Car-Parrinello molecular dynamics simulations, the finite temperature behaviour of water trimers, (H2O)3, in both neutral and anionic frameworks, has been investigated. A significant structural change in the anionic structure has been observed at temperatures above 100 K where a chain geometry has formed and stabilised entropically. On the other hand, neutral trimers have remained in their ring structure, as predicted theoretically at low temperatures, for long time periods.
@article{arxiv.1402.5562,
title = {Finite temperature dynamics of anionic water trimers},
author = {J. M. Finn and F. Baletto},
journal= {arXiv preprint arXiv:1402.5562},
year = {2014}
}