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.
Le
Hai-Anh
HA
Research School of Chemistry, Australian National University, ACT 0200 Australia.
Frankcombe
Terry J
TJ
Collins
Michael A
MA