1887
banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
Mode specificity in the H + H2O → H2 + OH reaction: A full-dimensional quantum dynamics study
Rent:
Rent this article for
USD
10.1063/1.4803695
/content/aip/journal/jcp/138/18/10.1063/1.4803695
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/18/10.1063/1.4803695
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Jacobi coordinates for the H + HOH reaction.

Image of FIG. 2.
FIG. 2.

Initial state-selected total reaction probabilities for = 0 for the H + HO → H + OH reaction as a function of collision energy.

Image of FIG. 3.
FIG. 3.

Same as Fig. 2 except as a function of total energy measured from the ground rovibrational state of HO.

Image of FIG. 4.
FIG. 4.

Total reaction probabilities for = 0, 10, 20, 30 as a function of collision energy for (a) (100) state; (b) (001) state; (c) (200) state; (d) (002) state.

Image of FIG. 5.
FIG. 5.

(a) Integral cross sections for the H + HO → H + OH reaction for different initial vibrational states as a function of total energy. (b) Integral cross sections for several initial vibrational states with and without the CS approximation.

Image of FIG. 6.
FIG. 6.

The initial state-specific rate constants and thermal rate constant for the H + HO → H + OH reaction in the current study calculated on the YZCL2 PES, compared with the previous theoretical and experimental results.

Loading

Article metrics loading...

/content/aip/journal/jcp/138/18/10.1063/1.4803695
2013-05-09
2014-04-18
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Mode specificity in the H + H2O → H2 + OH reaction: A full-dimensional quantum dynamics study
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/18/10.1063/1.4803695
10.1063/1.4803695
SEARCH_EXPAND_ITEM