On the Density Matrix of Effectively Unpaired Electrons.
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F01%3A27013061" target="_blank" >RIV/67985858:_____/01:27013061 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
On the Density Matrix of Effectively Unpaired Electrons.
Original language description
This Letter describes the relatioships between the density of effectively unpaired electrons and other tools as the cumulant of the second-order reduced density matrix and the statistical population analysis. A topological population analysis, based on the atoms in molecules (AIM) theory, is incorporated in to the framework of the density of effectively unpaired electrons. Numerical deretminations are carried out within this analysis in several systems and the results are compared with those of a more traditional Mulliken approach.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2001
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Chemical Physics Letters
ISSN
0009-2614
e-ISSN
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Volume of the periodical
346
Issue of the periodical within the volume
N/A
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
5
Pages from-to
283-287
UT code for WoS article
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EID of the result in the Scopus database
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