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PRS

The github repository of the prs group

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  1. TUNNEX TUNNEX Public

    Tunneling in experiments (TUNNEX) is a free open-source program with an easy-to use graphical user interface (GUI) to simplify the process of WKB computations.

    C++ 6 3

  2. make_projections make_projections Public

    This helper tool of TUNNEX is an interface to Gaussian09/16 to facilitate the projected frequency computation from IRC forward and reverse output files.

    C++ 1

  3. plot_spectra plot_spectra Public

    The script enables to plot IR spectra with arbitrary x-axis interruptions and more.

    Python 1

  4. Spectra_Analyzer Spectra_Analyzer Public

    Python 1

  5. Contrasting-Historical-and-Physical-Perspectives-in-Asymmetric-Catalysis Contrasting-Historical-and-Physical-Perspectives-in-Asymmetric-Catalysis Public

    Basic scripts, results, and datasets used for the perspective on ee vs ddG in reaction modeling.

    Jupyter Notebook

Repositories

Showing 5 of 5 repositories
  • Contrasting-Historical-and-Physical-Perspectives-in-Asymmetric-Catalysis Public

    Basic scripts, results, and datasets used for the perspective on ee vs ddG in reaction modeling.

    prs-group/Contrasting-Historical-and-Physical-Perspectives-in-Asymmetric-Catalysis’s past year of commit activity
    Jupyter Notebook 0 MIT 0 0 0 Updated Aug 10, 2024
  • prs-group/Spectra_Analyzer’s past year of commit activity
    Python 1 0 0 0 Updated Feb 4, 2021
  • plot_spectra Public

    The script enables to plot IR spectra with arbitrary x-axis interruptions and more.

    prs-group/plot_spectra’s past year of commit activity
    Python 1 MIT 0 0 0 Updated Jun 2, 2020
  • TUNNEX Public

    Tunneling in experiments (TUNNEX) is a free open-source program with an easy-to use graphical user interface (GUI) to simplify the process of WKB computations.

    prs-group/TUNNEX’s past year of commit activity
    C++ 6 GPL-3.0 3 0 0 Updated Jun 2, 2020
  • make_projections Public

    This helper tool of TUNNEX is an interface to Gaussian09/16 to facilitate the projected frequency computation from IRC forward and reverse output files.

    prs-group/make_projections’s past year of commit activity
    C++ 1 GPL-3.0 0 1 0 Updated Jul 17, 2019

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