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.
Analytical evaluation of Fukui functions and real-space linear response function
Rent:
Rent this article for
USD
10.1063/1.3701562
/content/aip/journal/jcp/136/14/10.1063/1.3701562
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/14/10.1063/1.3701562
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Calculation for the He atom. is the HOMO density, is the Fukui function f(r), and ρ(N − 0.01) is the total electron density for the system with electron number equal to N − 0.01.

Image of FIG. 2.
FIG. 2.

Calculation for the Be atom. is the HOMO density, is the Fukui function f(r), and ρ(N − 0.01) is the total electron density for the system with electron number equal to N − 0.01.

Image of FIG. 3.
FIG. 3.

Calculation on H2CO along the CO bond axis.

Image of FIG. 4.
FIG. 4.

Calculations on H2CO for the Fukui and Fukui+ functions both in the plane of the molecule and perpendicular to the plane.

Loading

Article metrics loading...

/content/aip/journal/jcp/136/14/10.1063/1.3701562
2012-04-12
2014-04-25
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Analytical evaluation of Fukui functions and real-space linear response function
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/14/10.1063/1.3701562
10.1063/1.3701562
SEARCH_EXPAND_ITEM