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. 2025 Sep 8;15(39):32172–32187. doi: 10.1039/d5ra05149e

Table 2. E a, A and R2 calculated using the iterative procedure of KAS-Ir and FWO-Ir methods for step 1 and 2.

α Step 1 Step 2
E a/kJ mol−1 R 2 A/min−1 E a/kJ mol−1 R 2 A/min−1
KAS 0.1 73.32 0.874 3.18 × 109 265.97 0.999 8.87 × 1018
0.2 81.81 0.939 1.74 × 1011 240.69 0.999 3.49 × 1016
0.3 85.07 0.970 2.86 × 1011 254.69 0.997 3.94 × 1016
0.4 85.17 0.908 2.01 × 1011 249.89 0.986 5.88 × 1015
0.5 85.60 0.911 1.62 × 1011 264.60 0.986 1.94 × 1016
0.6 96.47 0.946 2.71 × 1012 244.88 0.999 6.06 × 1014
0.7 99.22 0.961 2.36 × 1012 274.53 0.999 1.28 × 1016
0.8 99.69 0.932 1.59 × 1012 289.73 0.982 5.05 × 1016
0.9 89.58 0.920 5.87 × 1010 271.70 0.994 1.69 × 1015
Average 88.44 8.39 × 10 11 261.85 1.01 × 10 18
FWO 0.1 73.71 0.884 1.53 × 1012 266.04 0.999 8.58 × 1018
0.2 82.05 0.939 1.17 × 1012 240.75 0.999 5.02 × 1016
0.3 85.22 0.970 1.95 × 1011 254.75 0.997 4.76 × 1016
0.4 85.28 0.902 5.82 × 1010 249.95 0.986 7.82 × 1015
0.5 85.71 0.911 2.96 × 1010 264.66 0.986 2.42 × 1016
0.6 96.56 0.946 2.64 × 1011 244.94 0.999 9.16 × 1014
0.7 99.29 0.961 1.58 × 1011 274.58 0.996 1.66 × 1016
0.8 99.75 0.932 8.91 × 1010 289.79 0.982 6.15 × 1016
0.9 89.63 0.920 3.54 × 109 271.75 0.994 2.54 × 1015
Average 88.58 3.89 × 10 11 261.91 9.78 × 10 17