[CHM 331] NMR Shifts

[Andrew J. Pounds]

So when you are working on the capsule related to calculating NMR 
chemical shifts, you have to go into the output LOG file and search for 
the data.  You are looking for the Isotropic values -- which have to be 
averaged for each different atom in a given environment.  In TMS, for 
example, all of the C's are in a similar environment, and all of the H's 
are in a simular environment.

nmrshifts



-- 
Andrew J. Pounds, Ph.D.  (pounds_aj at mercer.edu)
Professor of Chemistry and Computer Science
Mercer University,  Macon, GA 31207   (478) 301-5627
http://faculty.mercer.edu/pounds_aj

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