Showing 61 - 80 results of 161 for search '(( algorithm etc function ) OR ( algorithms python function ))', query time: 0.22s Refine Results
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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. …”
  3. 63

    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. …”
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