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

A detailed quantum mechanical study is made of the three-dimensional tetraatom 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 rotational state K of the product XOH molecules is zero. The calculations are carried out using the negative imaginary arrangement decoupling potentials. The quasi-breathing-sphere approximation is employed for the reagent arrangements and the j(z) approximation for the product arrangements. State-to-state and state-selected cross sections are calculated for the (translational) energy range 0.1-0.7 eV.