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Smaller Carbon Clusters: Linear, Cyclic, Polyhedral
Published online by Cambridge University Press: 15 February 2011
Abstract
The MP2 perturbation treatment with the 6-31G* basis set has been applied to linear, cyclic, and polyhedral structures of Cn, n = 6-13, esp. to C12 in this report. While the linear and cyclic species can co-exist, polyhedral ones are too high in energy. Preliminary results on C8H (related to diffuse interstellar bands) are reported, too.
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- Copyright © Materials Research Society 1995
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