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The effect of zero-point energy differences on the isotope dependence of the formation of ozone: A classical trajectory study
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10.1063/1.1860011
/content/aip/journal/jcp/122/9/10.1063/1.1860011
http://aip.metastore.ingenta.com/content/aip/journal/jcp/122/9/10.1063/1.1860011

Figures

Image of FIG. 1.
FIG. 1.

The function , Eq. (7), for three isotope combinations. , , and . Only one complex channel is considered. The values for the two lowest energies are obtained by an exponential extrapolation.

Image of FIG. 2.
FIG. 2.

Dependence of the ozone formation rate on pressure (lower scale) and stabilization frequency (upper scale) for 300 K. The experimental data are for Ar as bath gas: ●, Lin and Leu (Ref. 32) (calculated from ); 엯, Hippler et al. (Ref. 33). The solid line is the calculated rate coefficient; and . The arrow on the lower scale marks the pressure at which the experiment of Janssen et al. (Ref. 1) has been performed.

Image of FIG. 3.
FIG. 3.

(a) Dependence of the ratio of the formation rates for and as function of . and . (b) Dependence of on . and . The horizontal line indicates the value for .

Image of FIG. 4.
FIG. 4.

Comparison of relative formation rates as function of the zero-point energy difference between reactant and product channels, . The data points correspond to (from left to right): , , , , and . and low pressures. ▵, unscaled trajectory results; 엯, scaled trajectory results ; ●, experimental results of Janssen et al.,1 ◻ Gao and Marcus (Ref. 9) . The scaled trajectory data for and agree with the experimental results and therefore are not discernable.

Tables

Generic image for table
Table I.

Temperature dependence of the ratio of formation rates for and , .

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/content/aip/journal/jcp/122/9/10.1063/1.1860011
2005-03-04
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: The effect of zero-point energy differences on the isotope dependence of the formation of ozone: A classical trajectory study
http://aip.metastore.ingenta.com/content/aip/journal/jcp/122/9/10.1063/1.1860011
10.1063/1.1860011
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