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Exact quantum dynamics study of the ion-molecule reaction and comparison with quasiclassical trajectory calculations
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10.1063/1.2179429
/content/aip/journal/jcp/124/14/10.1063/1.2179429
http://aip.metastore.ingenta.com/content/aip/journal/jcp/124/14/10.1063/1.2179429

Figures

Image of FIG. 1.
FIG. 1.

CCH reaction probability considering different values for , 0.638, and : —; ; —; -----.

Image of FIG. 2.
FIG. 2.

CCH (solid symbols) and QCT (open symbols) integral cross sections for reactions (circles), (squares), and (triangles) as a function of collision energy. The upper scale corresponds to the total energy for the (see text).

Image of FIG. 3.
FIG. 3.

QCT dependence of the square of the maximum impact parameter and reaction probability with for reactions (●) and (엯).

Image of FIG. 4.
FIG. 4.

vibrational population distribution from reaction (2) for and : —CCH; -----QCT.

Image of FIG. 5.
FIG. 5.

rotational population distribution from reaction (2) for and : —CCH; -----QCT.

Image of FIG. 6.
FIG. 6.

rotational population distribution from reaction (2) for and : —CCH; -----QCT.

Image of FIG. 7.
FIG. 7.

rotational population distribution from reaction (2) for and : —CCH; -----QCT.

Image of FIG. 8.
FIG. 8.

rotational population distribution from reaction (2) for : —CCH; -----QCT.

Image of FIG. 9.
FIG. 9.

Differential cross section of reaction (2) for and : —CCH; -----QCT.

Image of FIG. 10.
FIG. 10.

Forward/backward ratio for reaction (2) as a function of collision energy: ; .

Image of FIG. 11.
FIG. 11.

Reaction probability’s dependence on collision energy for reaction (2) and : —CCH; .

Image of FIG. 12.
FIG. 12.

Reaction probability’s dependence on collision energy for reaction (2) and several values: ; .

Tables

Generic image for table
Table I.

CCH value of the reaction as a function of collision energy.

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/content/aip/journal/jcp/124/14/10.1063/1.2179429
2006-04-10
2014-04-23
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Exact quantum dynamics study of the O++H2(v=0,j=0)→OH++H ion-molecule reaction and comparison with quasiclassical trajectory calculations
http://aip.metastore.ingenta.com/content/aip/journal/jcp/124/14/10.1063/1.2179429
10.1063/1.2179429
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