Journal of Physical Chemistry A, Vol.114, No.40, 10783-10788, 2010
Reaction Dynamics of H-3(+) + CO on an Interpolated Potential Energy Surface
An accurate potential energy surface for H-3(+) + CO has been constructed by interpolation of ab initio data. The reaction cross sections and thermal rate coefficients for the production of HCO+ and HOC+ have been evaluated using quasiclassical trajectory simulations.