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How to create a spectra


#1

Hello, Im trying to simulate a spectra for a simple molecule, such as ethanol. How can I do that? I would like to create some protocol for my students in Molecular physics. Anyone can help me on that? Thanks a lot,


#2

You don’t describe what kind of spectra you want - vibrational? Electronic? NMR?

That would be the most important before telling you how to do that. Thanks.


#3

electronic or vibrational would be the best.