The effect of a potential well in the quasi-asymptotic region of a potential energy surface on the dynamics of the F + H2 reaction

The effect of a potential well located in the quasi-asymptotic region of a potential energy surface for the F + H2 reaction on the dynamics was investigated by carrying out quasi-classical trajectory and quantum-mechanical calculations for two similar potential energy surfaces differing only in the depth of the well. Results were obtained concerning cross sections, rate constants, vibrational branching ratios and differential cross sections. The results are discussed in relation to published results of calculations for the 6SEC potential energy surface and of experimental measurements.