Reaction dynamics of H 3 + + CO on an interpolated potential energy surface
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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|Source:||Journal of Physical Chemistry A|
|01_Le_Reaction_dynamics_of_H_3__+__+_2010.pdf||182.41 kB||Adobe PDF||Request a copy|
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