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Transition frequencies in the lower energy spin-ladder
2Π3/2 were reported by
(1) D. L. Kokkin, N. J. Reilly, R. C. Fortenberry,
T. D. Crawford, and M. C. McCarthy,
2014, J. Chem. Phys. 141, Art. No. 044310.
The sign of ASO was incorrect in (1).
The value employed here is an average of SiCH and that
calculated for SiC2N.
Prediction in the lower energy spin-ladder may be reliable
up to 120 GHz or even higher. Predictions in the
higher energy spin-ladder 2Π1/2
should be viewed with very great caution.
The dipole moment is from an ab initio calculation
by
(2) H. Sun, N. Tan, H. Q. He, X. M. Pan, Z. M. Su,
and R. S. Wang,
2008, Theor. Chem. Acc. 119, 501.
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