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Fig. 9

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Gibbs free-energy (kcal mol−1) profiles of pre-qualified reactions for three regions of IRAS 16293 astrophysical conditions at CCSD(T)-F12/cc-pVTZ-F12 (corrections for ZPE incorporated). Region I: Tgas = 20 K and Pgas = 2.29 × 107 K cm−3. Region II:. Tgas = 80 K and Pgas = 7.06 × 107 K cm−3. Region III: Tgas = 150 K and Pgas = 6.08 × 108 K cm−3. Energy unitsof ΔH°, ΔG° in kcal mol−1; ΔS° in cal mol−1 K−1. In parentheses, we plot the net charge and spin multiplicity.

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