Stereodynamics in reactive scattering

In this study, O++HD ve OH++D reactions were examined and the reaction probabilities were calculated for different total angular momentum quantum numbers of Js. The calculations were done separately for total angular momentum J in step of 10. After having total reaction probablities, total and state to state reaction cross sections have been calculated using the obtained total reaction probabilities. One of the main aim of this thesis was to investigate the stereodynamic effects of atom-diatom collisions. Considering that we have been calculated total cross sections depending on the helicity quantum number of total angular momentum which can give some information about the stereodynamic. After having total reaction cross sections, the reaction rate constants have been calculated for considering reactions. We found that the perpendicular approaching is more dominant that the one for horizontal approach. This kind of calculation of quantum quantities gives information about stereodynamics properties of atom-diatom molecules interactions. As a result we found that the D+OH+  OD+ + H reaction is more slower than the one of O+ + HD  OD+ + H reaction.