Are there any modern programs (preferably freeware) that will simulate line broadening in the presence of exchange. Somewhere I have a copy of "DNMR3" (on a 5 1/4 " floppy) and I feel it will be a nightmare trying to get this to work (particularly the graphics output).
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Programs for simulation of lineshape change due to chemical exchange
http://www.shokhirev.com/nikolai/abc/nmrtut/ik1.gif
1) A simple web server for prediction of effect of chemical exchange on NMR lineshapes can be found here.
2) TwoLineNMR and TwoSiteExchange
3) MEXICO from Alex Bain group.
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what is/ how do you calculate the chemical shift in an NMR?
I have read the technical definitions but I still do not understand what the chemical shift means and how you calculate it given an NMR peak. If someone could kind of dumb it down for me but still give me the important things to know/ how it helps you determine the structure of a molecule with the NMR I would appreciate it.
Software to calculate chemical exchange lineshape
Linear Mode
