Key points are not available for this paper at this time.
Several dynamics studies have indicated that the product isotopic distributions and vibrational energy distributions in the reaction O(1D)+H2(HD) are very sensitive to the long range interaction of the reactants. In this paper we report an improved calculation of the reactant region of the potential energy surface. In agreement with previous work we find no barrier to edge-on insertion (1A′ ground state water surface), but find a smaller (0.2 kcal/mol) barrier to collinear addition (1Σ+ surface) than in previous work. The long range potential obtained in the present work most closely resembles the SL3 surface.
Walch et al. (Wed,) studied this question.
Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context: