Determination of net atomic charges in anthraquinone by means of 5-h X-ray diffraction experiment.
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389013%3A_____%2F02%3A55023109" target="_blank" >RIV/61389013:_____/02:55023109 - 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
Determination of net atomic charges in anthraquinone by means of 5-h X-ray diffraction experiment.
Original language description
Net atomic charges in anthrequinone have been determined by means of single-crystal X-ray diffraction. The data collection using four-circle diffractometer equipped with two-dimensional CCD detector took less than five hours. The experimental values of atomic charges agree quite well with those calculated by quantum chemistry methods.
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
BM - Solid-state physics and magnetism
OECD FORD branch
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Result continuities
Project
<a href="/en/project/GA203%2F99%2FM037" target="_blank" >GA203/99/M037: Centre of molecular and crystal structures</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2002
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Molecular Structure
ISSN
0022-2860
e-ISSN
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Volume of the periodical
611
Issue of the periodical within the volume
1-3
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
8
Pages from-to
139-146
UT code for WoS article
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EID of the result in the Scopus database
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