Quantum mechanical studies of molecular scattering
Abstract
A collection of seven theoretical studies on elementary chemical processes is presented. In each of the studies a quantum mechanical framework to describe a particular chemical system is used. A model that describes energy transfer in the collinear collision of two diatomic molecules is examined. The importance of low energy reaction probabilities in calculating low temperature rate constants was studied. A survey of resonances in the reactive scattering of collinear H + H2 and its symmetric isotope variants is presented. The effects of barrier height on vibrational deactivation in collinear scattering were studied. A method is proposed to describe collinear breakup collisions of the form A + BC yields A + B + C comparison of two independent calculations of reactive scattering in an actual chemical system is discussed. The difficulty of doing exact quantum calculations for even simple reactive systems is considered along with mathematical approximation that preserves the accuracy of the exact results.
 Publication:

Ph.D. Thesis
 Pub Date:
 1978
 Bibcode:
 1978PhDT........11D
 Keywords:

 Chemical Reactions;
 Molecular Collisions;
 Particle Collisions;
 Quantum Mechanics;
 Energy Transfer;
 Mathematical Models;
 Resonance;
 Resonant Vibration;
 Atomic and Molecular Physics