SYSTEMATIC INVESTIGATION OF THE STRUCTURES AND REARRANGEMENTS OF 6-ATOM CLUSTERS BOUND BY A MODEL ANISOTROPIC POTENTIAL

We report a comprehensive survey of the potential-energy surface for six-atom clusters bound by a model anisotropic potential. Analysis of the minima, transition states and rearrangement mechanisms reveals a number of new processes. The variation of the energy barriers with the anisotropy parameter...

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Bibliographic Details
Main Authors: Doye, J, Wales, D
Format: Journal article
Published: 1992