Molecular reaction dynamics for the collision Pu(^7Fg)+ CO(x^1Σ, 0, 0) and O(^3Pg)+PuC(X^5Σ^-, 0, 0) have been studied based on the analytical potential energy function of PuCO(X^7A") by Monte-Carlo quasi-classical trajectory approach. The results for the collisio process indicate that the main channel is the complexing reaction with no threshold energy for the collision Pu(^7Fg)+CO(0, 0) and the exchange reaction O(^3Pg)+PuC(0, 0)→Pu(^7Fg)+CO(X^1Σ^+) with no threshold energy for the collision O(^3Pg)+PuC(0, 0). The reactive cross section will decrease with increase of relative kinetic energy.

Key words: MOLECULAR DYNAMICS, CARBON MONOXIDE, PLUTONIUM, QUANTUM CHEMISTRY, POTENTIAL ENERGY, TRAJECTORY