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Quantum dynamics of the reaction at low temperatures
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Image of FIG. 1.
FIG. 1.

reaction probabilities of reaction on the DIMKP PES (upper panel) and the XXZLG PES (lower panel). As discussed in Ref. 41, results of Xu et al. (Ref. 24) on the XXZLG PES have been shifted back by to make a one-to-one comparison with our results.

Image of FIG. 2.
FIG. 2.

Final vibrational distribution of the reaction probability of for the DIMKP PES.

Image of FIG. 3.
FIG. 3.

Same as Fig. 2 but for the XXZLG PES.

Image of FIG. 4.
FIG. 4.

Minimum energy path of the reaction as a function of for the DIMKP and XXZLG PESs.

Image of FIG. 5.
FIG. 5.

Convergence of the reaction probabilities as functions of the collision energy for the DIMKP PES (upper panel) and for the XXZLG PES (lower panel). See text for the definition of the sets employed.

Image of FIG. 6.
FIG. 6.

Same as Fig. 5 but for the rate coefficients as functions of the temperature.

Image of FIG. 7.
FIG. 7.

Rate coefficients of as functions of the temperature.


Generic image for table
Table I.

reaction probability of for the DIMKP PES for different values of the matching distance and the number of hyperspherical channels at different collision energies .

Generic image for table
Table II.

Same as Table I but for the XXZLG PES.

Generic image for table
Table III.

Rate coefficients of in units of for different temperatures.


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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Quantum dynamics of the O+OH→H+O2 reaction at low temperatures