Quantum Instanton Evaluations of the Thermal Rate Constants for Complex Systems

Table 7

Arrhenius parameters for H diffusion in interior of bulk Ni. ^aThe QI diffusion coefficients for Oc_inte→Oc_inte. ^bFrom [60]. ^cFrom [68]. ^dFrom [64]. ^eFrom [65]. ^fFrom [66]. ^gFrom [67].

		𝐷0(cm^2s^−1)	𝐸𝑎(kcal/mol)
Present QI^a	200–400 K	3.93 (−3)	10.26
	295–300 K	1.3 (−3)	11.1
Wonchoba^b (theoretical data)	300–627 K	7.8 (−4)	10.9
	627–1650 K	4.4 (−4)	10.2
Wimmer^c (theoretical data)	273–1000 K	3.84 (−2)	10.92
Yamakawa^d (experimental data)	220–350 K	1.9 (−3)	8.89
Ebisuzaki^e (experimental data)	470–690 K	5.22 (−3)	9.56
Eichenauer^f (experimental data)	660–930 K	6.73 (−3)	9.47
Katz^g (experimental data)	670–1270 K	7.04 (−3)	9.43