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Quasiclassical trajectory (QCT) calculations of Ne + H 2 + reaction have been carried out on the adiabatic potential energy surface of the ground state 1 2 A'. The reaction probability of the title reaction for J = 0 has been calculated, and the QCT result is consistent with the previous quantum mechanical wave packet result. Quasiclassical trajectory calculations of the four polarization-dependent differential cross sections have been carried out in the center of mass (CM) frame. The P(θ r), P(φ r) and P(θ r, φ r) distributions, the k-k'-j' correlation and the angular distribution of product rotational vectors are presented in the form of polar plots. Due to the well in 1 2 A' PES, the reagent vibrational excitation has greater influence on the polarization of the product rotational angular momentum vectors j' than the collision energy.

Quasiclassical Trajectory Calculations for the Reaction Ne + H2+→ NeH++ H

Quasiclassical Trajectory Calculations for the Reaction Ne + H₂⁺→ NeH⁺+ H