Intramolecular rate process: Isomerization dynamics and the transition to chaos
- 1 October 1981
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 75 (7) , 3495-3510
- https://doi.org/10.1063/1.442459
Abstract
The Hamiltonian flow of a system of two degrees of freedom, capable of undergoing geometrical isomerization, is studied as a function of the coupling between the reactive and unreactive degrees of freedom. The reaction dynamics are analyzed from the perspective of the KAM theorem and the transition to chaos. Conditions are found for the validity of linear rate laws and RRKM theory in isolated molecules.Keywords
This publication has 9 references indexed in Scilit:
- Dynamical correlations and chaos in classical Hamiltonian systemsThe Journal of Chemical Physics, 1981
- Quantum dynamics in classically integrable and non-integrable regionsChemical Physics Letters, 1980
- Isomerization dynamics in liquids by molecular dynamicsChemical Physics Letters, 1980
- Trajectory analysis of a kinetic theory for isomerization dynamics in condensed phasesThe Journal of Chemical Physics, 1979
- Statistical mechanics of isomerization dynamics in liquids and the transition state approximationThe Journal of Chemical Physics, 1978
- Intracavity cw dye laser photoactivation of unimolecular reactants: isomerization of state-selected methyl isocyanideChemical Physics Letters, 1977
- A quantum ergodic theory approach to unimolecular fragmentationThe Journal of Chemical Physics, 1975
- Corrections to the Kinetic Theory of Fluid Diffusion. II. Binary MixturesThe Journal of Chemical Physics, 1970
- The applicability of the third integral of motion: Some numerical experimentsThe Astronomical Journal, 1964