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The thermodynamic and structural properties of (NH$_4$Cl)$_n$ clusters,n=3-10 are studied. Using the method of simulated annealing, the geometries ofseveral isomers for each cluster size are examined. Jump-walking Monte Carlosimulations are then used to compute the constant-volume heat capacity for eachcluster size over a wide temperature range. To carry out these simulations anew parallel algorithm is developed using the Parallel Virtual Machine (PVM)software package. Features of the cluster potential energy surfaces, such asenergy differences among isomers and rotational barriers of the ammonium ions,are found to play important roles in determining the shape of the heat capacitycurves.Comment: Journal of Chemical Physics, accepted for publicatio

Computational study of the structures and thermodynamic properties of ammonium chloride clusters using a parallel jump-walking approach