A ring polymer molecular dynamics study of the OH + H2(D2) reaction

reaction. Comparison of the previous theoretical calculations on the NN1 PES, namely, instanton theory and canonical variational theory with microcanonical optimized multidimensional tunneling, shows that the present RPMD results are more consistent and accurate. Future experimental measurements of the KIEs and accurate quantum mechanical calculations on these PESs are highly desirable, especially at low temperatures.