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47049091850
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We observed that, for a SOC, 30 cm-1, at the end of 4000 integration steps, the ratio between the triplet trajectories that had already dissociated (the cross section was ∼8.5 a02) and all the singlet trajectories (the cross section was ∼4.1 a0 2) was 2:1, which means that in the triplet CH2CH 2O biradical region, ISC cannot compete with direct dissociation on the triplet surface. To estimate a lower bound to the final triplet to singlet ratio, we assume a 1:1 ratio between direct dissociation on the triplet surface and ISC to the singlet surface for the triplet biradicals that remain after 4000 steps (the cross section was ∼20.5 a02, This yields a triplet to singlet ratio >(8.5, 20.5 × 0.5, 4.1, 20.5 × 0.5) ≈ 57:43
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2). This yields a triplet to singlet ratio >(8.5 + 20.5 × 0.5)/(4.1 + 20.5 × 0.5) ≈ 57:43.
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