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Molecular Physics
Large-scale single-reference state configuration interaction calculations are performed to determine equilibrium bond lengths and rotational constants Be for CCN+ and CNC+ as well as for C3 in their electronic ground states. The calculations for C3 are used to assess the accuracy of the results for the ionic species. © 1982.
M. Sekiya, K. Miwa, et al.
Molecular Physics
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Physical Review B
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