The Structures and Stability for Linear Carbon Element Clusters Cne(n≤15,|e|≤2)
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Abstract
The theoretic investigations of structures, ionization potentials and fragmentation energies for linear carbon element clusters Cne, have been performed, with MNDO and ab initio calculation methods. The results obtained show that the stability for neutral and charged linear clusters has odd—even alternations with the increase of carbon atoms in clusters. In addtion, symmetry breaking phenomena are observed in some states corresponding to linear clusters, D2Asymmetry solutions have lower energies
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