Table 5: Free energies, prefactors, and rate constants.

Process (300 K) (kcal/mol)AQI ( ) ( )

a2.191.58 (13)4.07 (11)
b2.141.61 (13)4.49 (11)
c2.141.27 (13)3.47 (11)

a33.066.87 (13)6.22 (−11)
b13.792.85 (13)2.64 (3)
c13.752.29 (13)2.23 (3)

a20.006.44 (13)1.83 (−1)
b5.402.10 (13)2.62 (9)
c5.401.72 (13)2.15 (9)

a34.924.29 (13)1.67 (−12)
b14.92
c14.87

a3.255.13 (13)2.28 (11)

a26.195.23 (13)4.31 (−6)
b7.831.86 (13)3.51 (7)
c7.861.45 (13)2.74 (7)

a7.838.17 (13)1.51 (8)
b1.751.91 (13)1.05 (12)
c1.731.49 (13)8.22 (11)

a27.825.12 (13)2.86 (−7)
b11.142.50 (13)1.90 (5)
c11.171.75 (13)1.32 (5)

a7.077.80 (13)6.16 (8)
b1.522.06 (13)1.60 (12)
c1.471.53 (13)1.36 (12)

a: The results for a rigid lattice.
b: The results for a classical lattice.
c: The results for a quantized lattice.