Structure of the Si45 cluster

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Abstract
Six structures for the Si45 cluster are compared using a tight‐binding model. Two new structures are proposed which appear to be the low‐energy isomers and to explain much of the existing experimental data. Cluster reactivity is distinguished from cluster stability, and several reasons are discussed which may lead to a reactive or unreactive species. These criteria are applied to the Si45 isomers, and the results are also correlated with experimental data.