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The viability of making [Fe(CB(6))L] (L = H(2), N(2), O(2), nitric oxide [NO(-), NO, and NO(+)], CO(2), and hydrocarbons [CH(4), C(2)H(6), C(2)H(4), and C(6)H(6)]) has been investigated by density functional theory (DFT) calculations. The complexes 2-18 are thermodynamically stable and may be synthesized. The small molecules are activated to some extent… (More)
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