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Quantum transition state theory for the full three-dimensional reaction
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10.1063/1.1858432
/content/aip/journal/jcp/122/9/10.1063/1.1858432
http://aip.metastore.ingenta.com/content/aip/journal/jcp/122/9/10.1063/1.1858432

Figures

Image of FIG. 1.
FIG. 1.

Rates for hydrogen exchange reaction on the LSTH potential surface. The QTST rates are compared with numerical results reported in Refs. 30 and 31.

Image of FIG. 2.
FIG. 2.

Reactive flux vs coordinate for full three-dimensional hydrogen exchange reaction on the LSTH potential surface. Panels (a)–(d) correspond to the temperatures of , , , and , respectively

Tables

Generic image for table
Table I.

Rate constants for the full three-dimensional reaction on the LSTH potential energy surface. (Rate constants are in ).

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/content/aip/journal/jcp/122/9/10.1063/1.1858432
2005-03-04
2014-04-23
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Quantum transition state theory for the full three-dimensional H+H2 reaction
http://aip.metastore.ingenta.com/content/aip/journal/jcp/122/9/10.1063/1.1858432
10.1063/1.1858432
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