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Acta Chimica Slovaca
Volume 7 (2014): Issue 2 (October 2014)
Open Access
Finite nucleus effects, relativistic effects and picture change error in the IOTC/DKH2 contact spin densities of Cu, Ag, Au atoms
Michal Malček
Michal Malček
,
Lukáš Bučinský
Lukáš Bučinský
and
Stanislav Biskupič
Stanislav Biskupič
| Dec 20, 2014
Acta Chimica Slovaca
Volume 7 (2014): Issue 2 (October 2014)
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Published Online:
Dec 20, 2014
Page range:
65 - 72
DOI:
https://doi.org/10.2478/acs-2014-0012
Keywords
contact spin density
,
nucleus model
,
PCE correction
,
picture change error
© Faculty of Chemical and Food Technology, Slovak University of Technology in Bratislava
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.