Publication Details (including relevant citation information):
Le HA, Frankcombe TJ and Collins MA, Reaction Dynamics of H3+ + CO on an Interpolated Potential Energy Surface, J. Phys. Chem. A, 2010,114, 10783–10788.
An accurate potential energy surface for H3+ + 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.
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