Pinned Repositories
Contrasting-Historical-and-Physical-Perspectives-in-Asymmetric-Catalysis
Basic scripts, results, and datasets used for the perspective on ee vs ddG in reaction modeling.
make_projections
This helper tool of TUNNEX is an interface to Gaussian09/16 to facilitate the projected frequency computation from IRC forward and reverse output files.
plot_spectra
The script enables to plot IR spectra with arbitrary x-axis interruptions and more.
Spectra_Analyzer
TUNNEX
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's Repositories
prs-group/TUNNEX
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/make_projections
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/plot_spectra
The script enables to plot IR spectra with arbitrary x-axis interruptions and more.
prs-group/Spectra_Analyzer
prs-group/Contrasting-Historical-and-Physical-Perspectives-in-Asymmetric-Catalysis
Basic scripts, results, and datasets used for the perspective on ee vs ddG in reaction modeling.