. 2009 Nov 19;106(49):20734–20739. doi: 10.1073/pnas.0911416106

Table 2.

Computed primary (1°) and secondary (2°) kinetic isotope effects, and computed and experimental total deuterium isotope effects for the proton abstraction of nitroethane in NAO and in water

1°	k_H^H/k_D^H	k_H^H/k_T^H	k_D^D/k_T^D
H₂O	6.63 ± 0.31	13.0 ± 1.0	2.17 ± 0.04
NAO	8.36 ± 0.58	18.1 ± 2.4	2.38 ± 0.05
2°	k_H^H/k_H^D	k_H^H/k_T^H	k_D^D/k_D^T
H₂O	1.340 ± 0.132	1.375 ± 0.183	1.096 ± 0.048
NAO	1.213 ± 0.150	1.229 ± 0.209	1.050 ± 0.025
k_H^H/k_D^D	Calc.	Expt.
H₂O	8.3 ± 1.1	7.8 ± 0.1
NAO	10.1 ± 1.4	9.2 ± 0.4

Subscripts and superscripts are used to specify the rate constant for isotope substitutions at the primary and secondary position, respectively.