3-DIMENSIONAL STUDY OF REACTIVE DIATOM-DIATOM SYSTEMS - QUANTUM-MECHANICAL STATE-TO-STATE CROSS-SECTIONS FOR THE H-2-]H+XOH (X=H, D) REACTIONS(OX)

A detailed quantum mechanical study is made of the three-dimensional t etraatom systems H-2(nu(H)) + OX(nu(0)) --> XOH(upsilon',j,v) + H (X = H, D). The study is limited to the case where the overall final rotat ional state K of the product XOH molecules is zero. The calculations a re carried out using the negative imaginary arrangement decoupling pot entials. The quasi-breathing-sphere approximation is employed for the reagent arrangements and the j(z) approximation for the product arrang ements. State-to-state and state-selected cross sections are calculate d for the (translational) energy range 0.1-0.7 eV.