By comparison of the reaction probabilities of H+ + H2 using adiabatic and non-adiabatic methods, it was found that, at low collision energies, the reaction preferentially occurs adiabatically, but at higher collision energies non-adiabatic effects should be taken into account.
For H- + H2 and its isotopologues, we can see that, at low collision energies, the reaction probabilities and reaction cross section using SM-PES and AY-PES are very similar but different from PS-PES. The reaction cross sections investigated with quasi-classical trajectoriesare higher than those calculated with quantum wavepackets.
For the collision H- and D- with HD, the main reaction path ways are different with the different collision energies.
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