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.
Static and dynamic descriptions of bond breaking/formation: A complementary view?
Rent:
Rent this article for
USD
10.1063/1.2133728
/content/aip/journal/jcp/123/21/10.1063/1.2133728
http://aip.metastore.ingenta.com/content/aip/journal/jcp/123/21/10.1063/1.2133728
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Scheme of the reaction.

Image of FIG. 2.
FIG. 2.

Energy profiles obtained along the IRP (solid) and the ADMP simulations (dash).

Image of FIG. 3.
FIG. 3.

Variations of AIM populations along the IRP (solid) and the ADMP trajectory paths (dash) for the “superbasin” corresponding to the methyl moiety and for the two chlorine atoms ( and ).

Image of FIG. 4.
FIG. 4.

Variations of the electron density and the opposite of its Laplacian [ function] along the ADMP trajectory of the variations at the bond critical point (left axis). Also reported on the same graph is the evolution of the distance along the ADMP trajectory (right axis).

Loading

Article metrics loading...

/content/aip/journal/jcp/123/21/10.1063/1.2133728
2005-12-08
2014-04-24
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Static and dynamic descriptions of bond breaking/formation: A complementary view?
http://aip.metastore.ingenta.com/content/aip/journal/jcp/123/21/10.1063/1.2133728
10.1063/1.2133728
SEARCH_EXPAND_ITEM