Abstract.
On the basis of large-scale coupled-cluster calculations including connected triple substitutions accurate equilibrium structures have been established for the linear carbon chain molecules with an odd number of carbon atoms up to C9. The individual equilibrium bond lengths are indicative of strong double bonds in all cases.
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Received: 16 November 1999 / Accepted: 5 December 1999 / Published online: 19 April 2000
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Botschwina, P. The equilibrium structures of linear carbon clusters of type C2 n +1 (n = 1–4). Theor Chem Acc 104, 160–162 (2000). https://doi.org/10.1007/s002149900116
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DOI: https://doi.org/10.1007/s002149900116