Showing 61 - 80 results of 168 for search '(( algorithm catenin function ) OR ((( algorithm python function ) OR ( algorithm etc function ))))', query time: 0.51s Refine Results
  1. 61

    ClaritySpectra: Raman spectra analysis tool by Aaron Celestian (9395696)

    Published 2025
    “…</li><li>Pre-compiled database from RRUFF and SLOPP that includes Hey Index of classification, chemistry, locality, paragenesis, mineral evolution stage, etc.</li></ul><h3>PEAK FITTING </h3><ul><li>Automated background subtraction using asymmetric least squares fitting</li><li>A new suggested background feature that lets you preview the background that you like best</li><li>Interactive background fitting lets you further tune the background to perfection</li><li>Four choice of peaks: Gaussian, Lorentzian, Pseudo-Voigt, and the new Asymmetric Voigt functions</li><li>Overlapping view of how well the peaks fit with quality metrics</li><li>No need to define regions, the algorithm is smart enough to what a peak looks like.…”
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    Generalized Internal Coordinates for Creative Exploration of Interatomic Geometries by Aleksandr V. Marenich (1283298)

    Published 2025
    “…Our algorithm allows the user to create compound internal coordinates that are functions of other coordinates, as well as special-purpose coordinates for specific classes of problems. …”
  4. 64

    Generalized Internal Coordinates for Creative Exploration of Interatomic Geometries by Aleksandr V. Marenich (1283298)

    Published 2025
    “…Our algorithm allows the user to create compound internal coordinates that are functions of other coordinates, as well as special-purpose coordinates for specific classes of problems. …”
  5. 65

    Generalized Internal Coordinates for Creative Exploration of Interatomic Geometries by Aleksandr V. Marenich (1283298)

    Published 2025
    “…Our algorithm allows the user to create compound internal coordinates that are functions of other coordinates, as well as special-purpose coordinates for specific classes of problems. …”
  6. 66

    Generalized Internal Coordinates for Creative Exploration of Interatomic Geometries by Aleksandr V. Marenich (1283298)

    Published 2025
    “…Our algorithm allows the user to create compound internal coordinates that are functions of other coordinates, as well as special-purpose coordinates for specific classes of problems. …”
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