Energy and Chemical Change
Abstract
The overall object of this project was a better theoretical understanding of the dynamics of energy rich molecules 'in both bound and unbound states. Particular attention was to be given to the understanding and elucidation of selectivity in the role of initial energy acquisition and its subsequent disposal. Some effort was directed at the understanding of such selectivity not only for isolated molecules but also for molecule-surface collisions. Two novel methodologies were developed and brought to fruition during these studies. One is the use of algebraic Hamiltonians for the description of high overtones (and hence highly anharmonic) energy rich states and the determination of the potential energy from observed spectra in this way. Very extensive work has demonstrated the realistic feasibility of this approach for triatomic molecules (both linear and bent) and for linear tetratomic molecules. A complete summary of this approach has just been written up for publication as a book which includes table of parameters of algebraic Hamiltonians for a variety of molecules.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jan 01, 1993
- Accession Number
- ADA262359
Entities
People
- James L. Kinsey
- Raphael D. Levine
Organizations
- Rice University