Free energy [Eq. (25)] dependence of temperature. The solid and dotted lines correspond to the quantum and classical calculations, respectively.
The same as Fig. 1 except for the prefactor [Eq. (26)] dependence of temperature.
Arrhenius plot of the thermal rate constants for the reaction. Solid line, the QI results; dotted line, CVT/CD-SCSAG results from Ref. 41; dashed line, the classical VTST results; dot-dashed, the values from the conventional TST with a simple Wigner tunneling factor;40 and, filled squares, the experimental values from Ref. 37.
The thermal rate constants for the , and reactions. The solid and dashed lines represent the QI and the CVT/CD-SCSAG results, respectively.
Rate constants for the reaction (in ).
The kinetic isotope effects (KIEs) at different temperatures.
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