title: Ar n HF van der Waals clusters revisited. I. New low-energy isomeric structures for n=6-13.
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.
authors.affiliation: Department of Chemistry, New York University, New York, NY 10003, USA.
authors.forename: Minzhong
authors.initials: M
authors.lastname: Xu
authors.forename: Hao
authors.initials: H
authors.lastname: Jiang
authors.forename: Zlatko
authors.initials: Z
authors.lastname: Bacić