Quasiclassical trajectory studies of reactive energy transfer
Journal Article
·
· Acc. Chem. Res.; (United States)
Quasiclassical trajectory studies of the reactive vibrational relaxation mechanism in atom-diatom collisions and related aspects of energy transfer are discussed. The goal of the reported work was to obtain a detailed understanding of the mechanistic processes for energy transfer in simple systems, and to develop techniques for computing reliable energy transfer data. The quasiclassical trajectory approach was shown to be a useful tool for accomplishing this goal. The usefulness does, however, rest upon the capability of computing accurate potential-energy surfaces. Carefully constructed semiempirical surfaces are shown to be quite reliable for a large number of systems.
- Research Organization:
- Los Alamos Scientific Lab., NM
- OSTI ID:
- 7116377
- Journal Information:
- Acc. Chem. Res.; (United States), Journal Name: Acc. Chem. Res.; (United States) Vol. 9:9; ISSN ACHRE
- Country of Publication:
- United States
- Language:
- English
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