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On the dynamics of the reaction: A comparison between theory and experiment
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10.1063/1.2812555
/content/aip/journal/jcp/128/1/10.1063/1.2812555
http://aip.metastore.ingenta.com/content/aip/journal/jcp/128/1/10.1063/1.2812555

Figures

Image of FIG. 1.
FIG. 1.

Total and vibrationally state resolved reaction probabilities as a function of collision energy, at zero total angular momentum, , for the reaction calculated by means of the EQM (gray solid line), QWP (red dashed line), SQM (blue dotted line), and QCT (solid line) approaches.

Image of FIG. 2.
FIG. 2.

Total reaction probabilities as a function of collision energy, at , 20, 30, and 40, for the reaction calculated by means of the QWP (grey solid line), SQM (dashed line), and QCT (solid line) approaches. For , the inset shows the comparison of these three methods with the EQM probabilities (dark gray line) calculated around collision energy.

Image of FIG. 3.
FIG. 3.

Opacity function or reaction probability in terms of the total angular momentum calculated at collision energy for the reaction by means of the EQM (full squares with solid line), QWP (gray full triangles and solid line), SQM (empty circles and dashed line), and QCT (solid line) approaches.

Image of FIG. 4.
FIG. 4.

Integral cross sections (in ) calculated at for the reaction by means of the EQM (full squares and solid line), QWP (solid diamonds and dotted line), SQM (empty circles and dashed line), and QCT (empty triangles and solid line) methodologies.

Image of FIG. 5.
FIG. 5.

Total differential cross section (in ) calculated at collision energy for the reaction using the EQM (gray solid line), QWP (dotted line), SQM (dashed line), and QCT (solid line) methods. The theoretical DCSs are compared with the experimental results of Ref. 3, which are shown in full squares and solid line. The experimental results, restricted to the angular range , have been scaled to the EQM DCS at . The inset shows a magnification of the angular range between 20° and 140°.

Image of FIG. 6.
FIG. 6.

Rotationally state resolved differential cross sections (in ) calculated at collision energy forthe reactions by means of the EQM (dark solid line), QWP (light solid line), SQM (dashed line), and QCT (dotted-dashed line) methods. As in Fig. 5, the theoretical distributions are compared with the state-to-state experimental cross sections reported by Song et al. (Ref. 3) (shown in solid squares with solid line). The insets show a magnification of the angular range between 20° and 140°.

Image of FIG. 7.
FIG. 7.

Same as Figure 6 but for the reactions.

Image of FIG. 8.
FIG. 8.

Kinetic energy spectra for the , 17°, and 24° laboratory angles at collision energy. Experimental results (dark solid line) and simulations obtained by using the EQM (solid line), SQM (dashed line), QCT (dotted line), and QWP (light solid line) results. The position of the different rotational states of reactively scattered and inelastically scattered are shown in the bottom of each panel.

Image of FIG. 9.
FIG. 9.

Same as Fig. 8 but for , 42°, and 52°.

Image of FIG. 10.
FIG. 10.

Opacity function or reaction probability in terms of the total angular momentum calculated at collision energy for the reaction by means of the EQM (full squares with solid line), QWP (gray full triangles and solid line), SQM (empty circles and dashed line), and QCT (solid line) approaches.

Image of FIG. 11.
FIG. 11.

Total differential cross section (in ) calculated at collision energy for the reaction using the EQM (grey solid line), QWP (dashed-dotted line), SQM (dashed line), and QCT (solid line) methods.

Image of FIG. 12.
FIG. 12.

Rotationally state resolved differential cross sections (in ) calculated at collision energy for the reactions by means of the EQM (grey solid line), QWP (dashed-dotted line), SQM (dashed line), and QCT (solid line) methods. The inset in the top panel shows a magnification of the backward region for the reaction yielding .

Tables

Generic image for table
Table I.

Total and vibrationally state selected integral cross sections (in ) calculated at for the reaction using the different theoretical methods employed in the present work, i.e., EQM, QWP, SQM, and QCT.

Generic image for table
Table II.

Total and vibrationally state selected integral cross sections (in ) calculated at for the reaction using the different theoretical methods employed in the present work, i.e., EQM, QWP, SQM, and QCT.

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/content/aip/journal/jcp/128/1/10.1063/1.2812555
2008-01-03
2014-04-23
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: On the dynamics of the H++D2(v=0,j=0)→HD+D+ reaction: A comparison between theory and experiment
http://aip.metastore.ingenta.com/content/aip/journal/jcp/128/1/10.1063/1.2812555
10.1063/1.2812555
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