Seidler-Lab's repositories
Phosphorus-ML-Project
Analysis of X-ray spectra of phosphorus compounds.
CrCl2KaXES_Example
Example scripts for calculating the Kalpha XES or CrCl2 using FPLO and Quanty
EDX-Concrete-Analysis
Energy Dispersive X-ray Analysis of Concrete
Language:Jupyter Notebook000
nwxpl
Pipeline for calculating XES and XANES for molecular compounds using NWChem
Language:PythonMIT000
XRay-Spectra
XANES and XES spectra calculated for compounds (listed by PubChem CID) using NWChem
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