. 2021 Sep 17;125(38):8434–8453. doi: 10.1021/acs.jpca.1c06913

Table 3. Sensitivity of the Calculated Branching Fractions for the O(³P) + Benzene Reaction to the CMB Conditions, the Adopted Theoretical Model, and Uncertainties in the Model Parameters.

model	C₆H₅O + H (triplet)	C₅H₆ + CO	C₆H₅O + H (singlet)
collision energy distribution	0.26	0.59	0.15
Landau–Zener ISC^a	0.22	0.64	0.14
weak coupling ISC^a	0.25	0.61	0.14
MECP energy – 2 kcal/mol^a^,^b	0.10	0.73	0.18
MECP energy + 2 kcal/mol^a^,^b	0.53	0.38	0.08

Simulations were performed at the average collision energy of 8.2 kcal/mol.

Simulations were performed using the weak coupling ISC model.

Table 3. Sensitivity of the Calculated Branching Fractions for the O(3P) + Benzene Reaction to the CMB Conditions, the Adopted Theoretical Model, and Uncertainties in the Model Parameters.