IUCr
IT
WDC
search IUCr Journals
home
archive
editors
for authors
for readers
submit
open access
journal menu
home
archive
editors
for authors
for readers
submit
open access
disable zoom
view article
Figure 3
Comparison between the CCSD electron densities and the RHF (black), XC-WF/0.5 (blue), XC-WF/0.7 (red), XC-WF/1.2 (green) and XC-WF/2.0 (orange) charge distributions along some selected chemical bonds of the six investigated molecules.
IUCrJ
Volume 4
|
Part 2
|
March 2017
|
Pages 136-146
ISSN: 2052-2525
https://doi.org/10.1107/S2052252516019217
MATERIALS
|
COMPUTATION
Open
access
Follow IUCrJ
E-alerts
Twitter
Facebook
RSS
Copyright ©
International Union of Crystallography
Home
Contact us
Site index
About us
Partners and site credits
Help
Terms of use
The IUCr is a scientific union serving the interests of crystallographers and other scientists employing crystallographic methods.