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Quasiclassical trajectory study of formaldehyde unimolecular dissociation: ,
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10.1063/1.1872838
/content/aip/journal/jcp/122/11/10.1063/1.1872838
http://aip.metastore.ingenta.com/content/aip/journal/jcp/122/11/10.1063/1.1872838
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

vibrational distribution, summed over CO rovibrational states, using two sets of initial conditions for a total energy of (relative to the harmonic zero-point energy). Dashed curve is for excitation of the two CH stretches and solid curve for a stretch CH bond, as described in detail in the text.

Image of FIG. 2.
FIG. 2.

Translational energy distributions for the product at the energies indicated (in ).

Image of FIG. 3.
FIG. 3.

Rotational state distributions for CO, summed over rovibrational states, at the energies indicated: the solid circle solid line is for and the open circle dashed line is for .

Image of FIG. 4.
FIG. 4.

Vibrational state distributions for , summed over CO rovibrational states, at the energies indicated (in ).

Image of FIG. 5.
FIG. 5.

Variation of the branching ratio of the two products with energy: the solid circle solid line is for channel, and the open circle dashed line is for the channel.

Image of FIG. 6.
FIG. 6.

Rotational state distributions for HCO, summed over HCO vibrational states, at the total energies indicated .

Image of FIG. 7.
FIG. 7.

distributions for HCO at the total energies indicated .

Image of FIG. 8.
FIG. 8.

Translational energy distributions for products at the total energies indicated. See text for an explanation of the , , and notation.

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/content/aip/journal/jcp/122/11/10.1063/1.1872838
2005-03-22
2014-04-21
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Quasiclassical trajectory study of formaldehyde unimolecular dissociation: H2CO→H2+CO, H+HCO
http://aip.metastore.ingenta.com/content/aip/journal/jcp/122/11/10.1063/1.1872838
10.1063/1.1872838
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