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AI for Chemical Spectra

Chemical applications of group theory functionality - dcomposed reducible representations, calculates IR and Raman active modes, projection operator method, etc.

This repository contains programs written in Python 3.7 which were used to visualize and find trends in the H-NMR and FTIR spectra of canola oil, palm oil, and their mixtures. This was used for an experiment for CHEM 133.02 LAB.