Abstract
Minimum energy structures and dynamics of (H2O)64 cluster are investigated by molecular dynamics techniques and an empirical potential energy surface. Using plots of the cluster, the oxygen-oxygen distance distribution function, and power spectra, we show the existence of minima with deformed cubic arrangement. These results together with previous calculations on smaller clusters support the conclusion that the cubic type geometries are common among water aggregates.
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Schedule a callMore From: Zeitschrift für Physik D: Atoms, Molecules and Clusters
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