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

The result's identifiers

  • 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>

Alternative languages

  • 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

  • Czech description

Classification

  • Type

    J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

  • CEP classification

    CA - Inorganic chemistry

  • OECD FORD branch

Result continuities

  • Project

  • Continuities

    I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Others

  • Publication year

    2016

  • 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 Non-Crystalline Solids

  • ISSN

    0022-3093

  • e-ISSN

  • Volume of the periodical

    447

  • Issue of the periodical within the volume

    September 2016

  • Country of publishing house

    NL - THE KINGDOM OF THE NETHERLANDS

  • Number of pages

    7

  • Pages from-to

    322-328

  • UT code for WoS article

    000381841200047

  • EID of the result in the Scopus database