QMAS_NMR_spectrum_analyzer
Define structural information from 2-nd order quadrupolar MAS NMR spectrum.
By approximation an experimental spectrum the program can calculate such parameters as:
- number of quadrupolar lines (contributions)
- ratios of the lines (relative integral intensities)
For each line it is possible to calculate:
- asymmetry EFG parameter (eta)
- quadrupolar coupling constant (e2qQ/h)
- isotropic chemical shift (delta_iso)
- widths of Lorinsian and Gaussian type lines and proportional betwen theirs integral intensities
Citar como
Aleksey Kazarinov (2024). QMAS_NMR_spectrum_analyzer (https://github.com/AlekseyKazarinov/QMAS_NMR_spectrum_analyzer), GitHub. Recuperado .
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Versión | Publicado | Notas de la versión | |
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1.2 | added a link to the GitHub repository |
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1.1 |
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