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. Author manuscript; available in PMC: 2014 Sep 12.
Published in final edited form as: J Phys Chem B. 2013 Aug 29;117(36):10.1021/jp404743d. doi: 10.1021/jp404743d

Table 2.

Spin Hamiltonian Parameters for the C2-2H Coupling

Hamiltonian
parameters		 “best”
value		 95% Conf.
Interval
r (Å) 4.66 4.4–4.99
βHF (°) 37.2 24.8–49.7
e2qQ/h (MHz) 0.22 −0.11–0.56
βNQI (°) 85.9 43.4–168.5
γNQI (°) 143.2 48.7–235.0