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Description:
One of the many tools that chemists use to determine the structure of a compound is Electron Spin Resonance (ESR) spectroscopy, which looks at the characteristics involving energy absorbed by an unpaired electron to determine structural data. However, due to natural sampling error, spectra produced of a compound by a typical ESR spectroscopy machine may not compare to what the chemist had predicted. In such cases, having a theoretically generated reference spectrum of that compound may help in determining if there is at least a trace of said compound. Moreover, theoretical spectra lend a hand in teaching the theory behind ESR spectroscopy by providing a clean example of spin resonance in a compound.


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