Water as a solute: competitive shell formation in (He,Ne) mixed microdroplets.

Abstract

Quantum Monte Carlo (QMC) stochastic calculations are carried out for a series of mixed rare gas clusters containing He and Ne which further include one H(2)O molecule as a single dopant. The ab initio potentials employed in the calculations, and the structural details provided by the QMC results, clearly reveal that the differences in the interaction… (More)
DOI: 10.1039/c0cp01342k

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