“…It is not possible to know the exact point (below the Frank‐Condon 1 K 0 → 1 K 1 transition) where the singlet‐triplet crossing occurs. Then the theoretical study by Casadesús et al had to calculate the rate constants at a wide range of available energies E of 3 K around V AG , the adiabatic vibrational ground‐state energy barrier for the hydrogen transfer in 3 K . To this purpose, the microcanonical rate constants for 1,4‐MAT and 1,4‐DMAT including tunneling in 3 K were calculated using the following equation, which is based on the RRKM theory: with where m is the number of vibrational degrees of freedom, { υ i } and are, respectively, the normal‐mode frequencies at the reactant molecule and transition state, P is the tunneling probability in the reaction coordinate, V ‡ is the classical potential energy barrier, and n = n 1, n 2, …, n m −1 are the vibrational quantum numbers.…”