Abstract
A diatomics-in-molecules calculation of the potential energy surface for O++H2 to OH++H (linear approach) yields a 22 kcal mole-1 activation barrier. This is in contrast to a previous ab initio calculation by Chambaud et al. (1974) in which the intermediate species (O . . . H . . . H)+ is found to be bound with respect to reactants and products.
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