Distribution of reaction products (theory). VII. D⁺ + H₂ → DH + H⁺ using an <i>ab initio</i> potential-energy surface

Abstract

A three-dimensional classical trajectory calculation has been made of the dynamics of the reaction D + + H 2 → DH + H + . In contrast to earlier trajectory studies the potential-energy surface was obtained ab initio, consequently the results have predictive interest.