UNIMOLECULAR DISSOCIATION IN THE REGULAR REGIME

Date

1993-07-15

Author

YURTSEVER, E
GUNAY, H
UZER, T

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The unimolecular dissociation of a model triatomic molecule is analyzed. The model, which is loosely based on the radical HO2, shows mostly regular dynamical behavior although it has enough energy to dissociate. By analyzing the progress towards dissociation, we find that dissociation takes place due to concerted and correlated motions as in the Slater theory of unimolecular reactions rather than the steady accumulation of energy in the dissociative mode.

Subject Keywords

Hooh, States, Molecules, Relaxation, Dependence, consistent-field approach; potential-energy surface; dynamics; Oscillators, Dynamic, Potential-energy surface, Consistent-field approach

URI

https://hdl.handle.net/11511/66661

Journal

JOURNAL OF CHEMICAL PHYSICS

DOI

https://doi.org/10.1063/1.465411

Collections

Department of Chemistry, Article

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Citation Formats

E. YURTSEVER, H. GUNAY, and T. UZER, “UNIMOLECULAR DISSOCIATION IN THE REGULAR REGIME,” JOURNAL OF CHEMICAL PHYSICS, pp. 1135–1144, 1993, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/66661.