Table 5.

Computed canonical variational transition state theory (CVT) and small curvature tunneling (SCT) rate constants and Arrhenius activation parameters for at the MPW1K/6−31+G(d,p) level of theory.

Reaction	Method	kH	kD	kH/kD	Ea,H	log(AH)	Ea,D	log(AD)
Me2NO• + HONMe2	CVT	5.65 × 10−4	8.67 × 10−5	6.5	14.8	7.6	15.8	7.6
Me2NO• + HONMe2	SCT	4.85 × 101	2.47 × 10−1	196	6.1	6.2	7.3	4.8
MeHNO• + HONHMe	SCT	1.83× 101	7.65 × 10−2	239	6.1	5.8	7.4	4.3

^a k_H, k_D, M⁻¹ s⁻¹; E_a,H, E_a,D, kcal mol⁻¹.