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Dissociation of Gaseous Diatomic Molecules. II. Effect of Anharmonicities

Journal Article · · Journal of Chemical Physics
DOI:https://doi.org/10.1063/1.1732992· OSTI ID:4739309

The classical adiabatic calculation of the rate of dissociation of diatomic molecules was extended to Morse potential oscillators in one-dimensional colinear collisions. The limits of error of the method were formulnted and numerical calculations of the rates of dissociation of H/sub 2/ in Xe and I/sub 2/ in Ar were made assuming both the Morse and harmonic potentials. The harmonic results were in good agreement with experiment. Estimates of the errors involved show that the anharmonic results are not as reliable as the harmonic results. The distribution functions for a strongly interacting harmonic oscillator were also calculated.

Research Organization:
Univ. of Chicago
Sponsoring Organization:
USDOE
NSA Number:
NSA-17-008044
OSTI ID:
4739309
Journal Information:
Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 10 Vol. 37; ISSN JCPSA6; ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Country of Publication:
Country unknown/Code not available
Language:
English

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