Chemical detection by irrediation?

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Some complex/man made molecules decompose so as to leave detectable components. The detection of these components may be accomplished by QA or a good nose. However, is it possible to irradiate the suspected components with a resonant energy thereby exposing it’s existence?
 
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the mathematics of irrediation?

Thank you, I suspected as much. It was a leading question to another one that is probably best asked as generally as the previously one, If you will stay with me please. I now know that various atomic structures may be illuminated dependent on its components and the illuminator or by injecting particular types of energy into the structure causing it to react in such a minor so as to expose its existence. If this is the case, there may be particular traits within the structure that may allow a mathematical relationship to be determined. This being possible, a predisposition may be made regarding structure behavior prior to experimentation. ?
 
Absolutely. There are numerous methods to calculate these spectra. Calculation prior to experimentation, that is, without reliance on experiment (termed 'semiempirical') is called an 'empirical' method. Examples of these empirical methods are Molecular Mechanics (MM) and Hartree-Fock. I believe that both empirical and semiempirical methods can be used to calculate spectra but the semiemprircal techniques are most often used.