Hfc2pms.m

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Converts hyperfine coupling tensors and susceptibility tensors into paramagnetic shifts (contact + pseudocontact component) using Equa- tion 10 from http://dx.doi.org/10.1039/C4CP03106G. Syntax:

                        pms=hfc2pms(A,chi,isotope)

Parameters:

           A    - hyperfine coupling tensor, MHz
         chi    - magnetic susceptibility tensor, Angstrom^3

Outputs:

         pms    - full paramagnetic shift, ppm