Table 2: Rate constants for the reaction ( ). The CVT/CD-SCSAG results from [50]. DD is the conventional TST with simple Wigner tunneling factor [51]. Expt. is the experimental Arrhenius fits, (T = 290–660 K) [52].

T (K)Present QIVTSTCVT/CD-SCSAGDDExpt.

2004.82 (−14)8.88 (−16)3.07 (−14)6.1 (−15)
3002.74 (−13)1.38 (−14)2.09 (−13)1.7 (−13)2.81 (−13)
4009.67 (−13)4.32 (−13)7.96 (−13)9.1 (−13)1.43 (−12)
5002.37 (−12)1.23 (−12)2.11 (−12)2.7 (−12)3.78 (−12)
6003.99 (−12)2.55 (−12)4.43 (−12)5.9 (−12)7.18 (−12)
7007.60 (−12)5.18 (−12)8.00 (−12)
8001.18 (−11)8.63 (−12)
9001.76 (−11)1.29 (−11)
10002.39 (−11)1.99 (−11)2.80 (−11)