Rate constant calculations on the N(4S)+OH(2Π) reaction

Calculations of the rate constant for the reaction N(S-4) + OH((2)Pi) have been performed at several temperatures using the rotationally adiabatic capture centrifugal sudden approximation (ACCSA) in combination with ab initio electronic structure theory. The rate constants show good agreement with experimental data. The calculated temperature dependence of k(T) is predicted to have a maximum value of 5.22 x 10(-11) cm(3) molecule' s(-1) at 66 K. (c) 2006 Elsevier B.V. All rights reserved.