PRS
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- Gießen, Germany
- https://uni-giessen.de/agschreiner
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make_projections
make_projections PublicThis 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
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plot_spectra
plot_spectra PublicThe script enables to plot IR spectra with arbitrary x-axis interruptions and more.
Python 1
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Contrasting-Historical-and-Physical-Perspectives-in-Asymmetric-Catalysis
Contrasting-Historical-and-Physical-Perspectives-in-Asymmetric-Catalysis PublicBasic scripts, results, and datasets used for the perspective on ee vs ddG in reaction modeling.
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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.
- Spectra_Analyzer Public
- plot_spectra Public
The script enables to plot IR spectra with arbitrary x-axis interruptions and more.
- 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.
- 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.
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