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In this work, the odd-numbered linear hydrocarbon cations HC 2n+1 H + (n=2–7) have been investigated with the B3LYP, CAM-B3LYP, and RCCSD(T) calculations focusing on the ground-state geometries, as well as with the CASSCF calculation for the structural optimizations of the ground and first excited states. The present studies reveal that these cation radicals possess stable structures...
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