Journal of Physical Chemistry A, Vol.105, No.50, 11171-11176, 2001
Quantum dressed classical mechanics: Application to the HO+CO -> H+CO2 reaction
Reaction dynamics of a four atom system (HO + CO) is investigated using the classical trajectory method and two quantum-classical theories. At 298 K, the new quantum-classical method predicts a rate of 1.49 x 10(-13) cm(3)/s, compared to an experimental value of 1.5 x 10(-13) cm(3)/s. It also reproduces the unusual temperature dependence.