Dynamic NMR simulation programs

Keith Brown (brownk@chem4823.usask.ca)
Thu, 26 Aug 1999 11:41:13 -0600 (CST)

We are looking for a program that will simulate an nmr spectrum and
compare the sim to the real acquired spectrum. I know that there are
dynamic nmr programs that generate a spectrum based on inputted J's, k's
and shift differences but they all require visual comparison to the
acquired spectrum as far as I can see. We would like to automate the
comparison step ... in other words, to fit the generated spectrum to the
acquired data. Does anyone know of such a beast?

Keith Brown
University of Saskatchewan
Saskatoon, Saskatchewan

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