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. 2022 Sep 14;609(7927):502–506. doi: 10.1038/s41586-022-05132-y

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Fig. 2 — a, Molecular structures of HzTFEX₂ and HzPipX₂ with ΔE_ST calculated by EOM-CCSD. b,c, Dominant pair of NTOs of S₁ and T₁ of HzTFEX₂ (b) and HzPipX₂ (c) for the EOM-CCSD calculations.