Structure of arsenic selenide glasses by Raman and Se-77 NMR with a multivariate curve resolution approach

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F16%3A39901861" target="_blank" >RIV/00216275:25310/16:39901861 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.jnoncrysol.2016.06.013" target="_blank" >http://dx.doi.org/10.1016/j.jnoncrysol.2016.06.013</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.jnoncrysol.2016.06.013" target="_blank" >10.1016/j.jnoncrysol.2016.06.013</a>

Result language
angličtina
Original language name
Structure of arsenic selenide glasses by Raman and Se-77 NMR with a multivariate curve resolution approach
Original language description
Solid state NMR and Raman data are usually reconstructed using devoted software. Most of the time the experimental results need to be compared to structural model obtained, for example, by Molecular Dynamics. This procedure is sophisticated, relies on a network of specialized skills, and is time consuming. In this paper, it is shown that chemometric unsupervised method also provide interesting quick information from badly resolved experimental data. In particular, taking the AsxSe1-x glassy system as example, it is shown that Correlation maps and Multivariate Curve Resolution carried out from 77Se NMR and Raman spectra enable to get spectral reconstruction which corroborates previous works. These methods help also at assigning the Raman lines to some vibration modes.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CA - Inorganic chemistry
OECD FORD branch
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Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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