Author/Authors :
Rodriguez، نويسنده , , A. and Garcia، نويسنده , , E. and Ceballos، نويسنده , , A. and Laganà، نويسنده , , A.، نويسنده ,
Abstract :
The OH+H2 reaction has been investigated theoretically using the recently proposed potential energy surface of Ochoa and Clary (J. Chem. Phys. 102 (1998) 9631) and the most widely used one of Schatz and Elgersma (Chem. Phys. Lett. 73 (1980) 21). The accuracy of the two surfaces in reproducing measured reactive properties of the title reaction and of its OH+D2 isotopic variant is evaluated by comparing highly converged quasiclassical results with experimental data and available quantum information.
