A python-solver for Tanabe-Sugano and energy-correlation diagrams
Plots absorption spectra from from ORCA output files
Automatic Prediction of Peak Optical Absorption Wavelengths in Molecules using Convolutional Neural Networks
A Python package based on the ASpecD framework for handling UVVis data.
R package to calculate optical band gap of semiconductors from UV-Vis spectra using the Tauc method
SPCViewer (fka. BluEPRint) is a versatile Tool for NMR, EPR and UV/Vis Spectroscopy
Interactive browser-based UV-Vis spectrum analysis and export from ORCA output files.
Collection of scripts used for an upper-division biochemistry lab sequence.
Easily transfer selected states from ORCA output files into tables (Go Edition)
*Expo*/*Data Exporter* can extract measurement data from predefined data sets in order to simplify the subsequent plotting in graphs. Additionally, there is the possibility to normalize the data.
This is a Python3 script to help assigning UV visible bands to transitions predicted by Tanabe-Sugano diagrams.
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