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Smaller Carbon Clusters: Linear, Cyclic, Polyhedral

Published online by Cambridge University Press:  15 February 2011

Z. Slanina,
S.-L. Lee,
M. Smigel,
J. Kurtz and
L. Adamowicz
Z. Slanina
Affiliation:
Department of Chemistry, National Chung-Cheng University, Ming-Hsiung, Chia-Yi 621, TaiwanOn a leave of absence from the Academy of Sciences of the Czech Republic, Prague
S.-L. Lee
Affiliation:
Department of Chemistry, National Chung-Cheng University, Ming-Hsiung, Chia-Yi 621, Taiwan
M. Smigel
Affiliation:
Convex Computer Corporation, Richardson, TX 75083-3851, USA
J. Kurtz
Affiliation:
Lockheed Engineering and Science Corporation, P. O. Drawer MM, Las Cruces, NM 88004, USA
L. Adamowicz
Affiliation:
Department of Chemistry, The University of Arizona, Tucson, AZ 85721, USA
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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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