CROSS SECTIONS AND RATE CONSTANTS FOR THE O(D-1)+H-2 REACTION USING A SINGLE-VALUED ENERGY-SWITCHING POTENTIAL ENERGY SURFACE

摘要

A realistic single-valued energy-switching potential energy surface recently proposed for the water molecule has been used to perform quasiclassical trajectory calculations for the title reaction. The calculated cross sections and rate constants are compared with theoretical and experimental data, particularly with a view to assess the temperature dependence of the rate constant. (C) 1997 Elsevier Science B.V. [References: 35]