What do you mean by chemical shift values:
The isotropic chemical shift (the chemical shift in NMR) or
The chemical shift at a particular orientation with respect to the magnetic field?
The isotropic chemical shift is the trace of the chemical shift tensor
The chemical shift at a particular orientation can be found using SIMPSON to simulate spectra.
http://nmr.au.dk/software/simpson/
Thank you for your reply Mr. Brender. I mean to obtain the chemical shift for a particular orientation once you have the CSA tensor
I agree with the answer of Hatem and Jeffrey. Please give more infos about your sample and the typ of NMR-spectrometer and what you mean with oriented samples (e.g. anorganic crystals or liquid crystals, biochemical crystals a.s.o...).
A GOOD FORMULATED QUESTION helps always the answerers to give a precise and good answer!
Please read :
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Introduction to Solid-State NMR - A tutorial by Rob Schurko from the University of Windsor
RCN - Research Coordination Network NMR of Biological Solids
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prior searching a software or script.
JRG
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