Describing the anisotropic 133Cs solid state NMR interactions in cesium chromate

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389013%3A_____%2F17%3A00475509" target="_blank" >RIV/61389013:_____/17:00475509 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.cplett.2017.06.026" target="_blank" >http://dx.doi.org/10.1016/j.cplett.2017.06.026</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.cplett.2017.06.026" target="_blank" >10.1016/j.cplett.2017.06.026</a>

Result language
angličtina
Original language name
Describing the anisotropic 133Cs solid state NMR interactions in cesium chromate
Original language description
The magnitudes of the magnetic interactions in crystalline Cs2CrO4 have been described using the plane-wave DFT treatment. A good level of agreement between the calculated and measured data has been found, and its relevance for structural studies of cesium-containing compounds has been discussed. This computational approach has been also used to reveal the absolute orientations in the Cs2CrO4 crystal frame of the 133Cs NMR chemical shielding and EFG tensors of all the crystallographically and magnetically distinct sites, and the results have been compared to the findings of several experimental investigations. The related tensorial transformations have been described in detail.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10404 - Polymer science

Project
<a href="/en/project/LO1507" target="_blank" >LO1507: Polymers for Advanced Technologies and a Better Quality of Life</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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