How do I calculate gaussian NMR magnetic shielding?

08 August 2013 0 5K Report

I would like to calculate the NMR magnetic shielding for each MO in my system. Let's say VO(halide)3, my nmr output is traditional para dia for each nucleus. But I am interested to see this info for each Mo level. I saw a publication that tabulated these results. I appreciate any help.

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