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Updated: Aug 9, 2026

Spatial Separation of Molecular Conformers and Clusters
Published on: January 9, 2014
Ar n HF van der Waals clusters revisited. I. New low-energy isomeric structures for n=6-13
Minzhong Xu1, Hao Jiang, Zlatko Bacić
1Department of Chemistry, New York University, New York, NY 10003, USA.
Abstract:
New low-lying isomeric structures of Ar(n)HF clusters are reported for n=6-13. They were determined using simulated annealing and evolutionary programming, for pairwise additive intermolecular potential energy surfaces. New global minima were found for the clusters with n=7, 10, 11. The new lowest-energy structure of Ar(7)HF and several new local minima for n=6, 7 clusters have the HF bound on a threefold surface site, consistent with the recent spectroscopic data for Ar(n)HF clusters in helium nanodroplets. A new type of low-energy local minima were determined for n=9-13 clusters.
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