M. Yoshimine, A.D. McLean, et al.
Journal of Chemical Physics
Paper
Theoretical microwave spectroscopic constants for CCN+ and CNC+
Abstract
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.