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,
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.
electronic or vibrational would be the best.